ethyl 4-methyl-2-[[4-(2-oxidanylidene-2-phenyl-ethanoyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[4-(2-oxidanylidene-2-phenyl-ethanoyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-(2-oxo-2-phenyl-acetyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(1,2-dioxo-2-phenylethyl)phenyl]-oxomethyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-(2-oxo-2-phenylacetyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(2-keto-2-phenyl-acetyl)benzoyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H25NO5S MolecularWeight: 475.5561

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C3=CC=C(C=C3)C(=O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C3=CC=C(C=C3)C(=O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H25NO5S/c1-3-33-27(32)22-21-16(2)8-7-11-20(21)34-26(22)28-25(31)19-14-12-18(13-15-19)24(30)23(29)17-9-5-4-6-10-17/h4-6,9-10,12-16H,3,7-8,11H2,1-2H3,(H,28,31)