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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > 2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > 2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > 2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > 2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > 2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
organic aromatic compound > phenols > 2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylic acid methyl ester

Preferred term

2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylic acid methyl ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C20H21NO6S

has_functional_parent

inchi

  • InChI=1S/C20H21NO6S/c1-26-20(25)17-13-8-3-2-4-10-15(13)28-18(17)21-16(23)11-27-19(24)12-7-5-6-9-14(12)22/h5-7,9,22H,2-4,8,10-11H2,1H3,(H,21,23)

inchikey

  • IUCLIZICDPQNIF-UHFFFAOYSA-N

mass

  • 403.451

monoisotopicmass

  • 403.10896

smiles

  • COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC(=O)C3=CC=CC=C3O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:121777

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