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

Systemtic Name: methyl 6-tert-butyl-2-[[4-(2-oxidanylidene-2-phenyl-ethanoyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[[4-(2-oxo-2-phenyl-acetyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[[4-(1,2-dioxo-2-phenylethyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[[4-(2-oxo-2-phenylacetyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[[4-(2-keto-2-phenyl-acetyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C29H29NO5S MolecularWeight: 503.60926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)C(=O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)C(=O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H29NO5S/c1-29(2,3)20-14-15-21-22(16-20)36-27(23(21)28(34)35-4)30-26(33)19-12-10-18(11-13-19)25(32)24(31)17-8-6-5-7-9-17/h5-13,20H,14-16H2,1-4H3,(H,30,33)