ethyl 2-[[2-(4-acetamidophenyl)carbonyloxy-2-phenyl-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(4-acetamidophenyl)carbonyloxy-2-phenyl-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-acetamidobenzoyl)oxy-2-phenyl-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-acetamidophenyl)-oxomethoxy]-1-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-acetamidobenzoyl)oxy-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-acetamidobenzoyl)oxy-2-phenyl-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C28H28N2O6S/c1-3-35-28(34)23-21-11-7-8-12-22(21)37-26(23)30-25(32)24(18-9-5-4-6-10-18)36-27(33)19-13-15-20(16-14-19)29-17(2)31/h4-6,9-10,13-16,24H,3,7-8,11-12H2,1-2H3,(H,29,31)(H,30,32)