ethyl 6-cyano-2-(2,2-diphenylethanoylamino)-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-cyano-2-(2,2-diphenylethanoylamino)-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-cyano-2-[(2,2-diphenylacetyl)amino]-6-phenyl-5,7-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 6-cyano-2-[(1-oxo-2,2-diphenylethyl)amino]-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-cyano-2-[(2,2-diphenylacetyl)amino]-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 6-cyano-2-[(2,2-diphenylacetyl)amino]-6-phenyl-5,7-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C32H28N2O3S MolecularWeight: 520.64132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)(C#N)C3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)(C#N)C3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H28N2O3S/c1-2-37-31(36)28-25-18-19-32(21-33,24-16-10-5-11-17-24)20-26(25)38-30(28)34-29(35)27(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,27H,2,18-20H2,1H3,(H,34,35)