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

Systemtic Name: ethyl 6-tert-butyl-2-[[4-(2-oxidanylidene-2-phenyl-ethanoyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C30H31NO5S MolecularWeight: 517.63584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC=C(C=C3)C(=O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC=C(C=C3)C(=O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H31NO5S/c1-5-36-29(35)24-22-16-15-21(30(2,3)4)17-23(22)37-28(24)31-27(34)20-13-11-19(12-14-20)26(33)25(32)18-9-7-6-8-10-18/h6-14,21H,5,15-17H2,1-4H3,(H,31,34)