methyl 2-[2-(4-methanoylphenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-methanoylphenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-formylbenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-formylphenyl)-oxomethoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-formylbenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-formylbenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=CC=C(C=C3)C=O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=CC=C(C=C3)C=O

InChI

InChI=1S/C20H19NO6S/c1-26-20(25)17-14-4-2-3-5-15(14)28-18(17)21-16(23)11-27-19(24)13-8-6-12(10-22)7-9-13/h6-10H,2-5,11H2,1H3,(H,21,23)