ethyl 2-[(4-chlorophenyl)carbonylamino]-6-cyano-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-chlorophenyl)carbonylamino]-6-cyano-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chlorobenzoyl)amino]-6-cyano-6-phenyl-5,7-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-6-cyano-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorobenzoyl)amino]-6-cyano-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-chlorobenzoyl)amino]-6-cyano-6-phenyl-5,7-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C25H21ClN2O3S MolecularWeight: 464.96384

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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)C4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN2O3S/c1-2-31-24(30)21-19-12-13-25(15-27,17-6-4-3-5-7-17)14-20(19)32-23(21)28-22(29)16-8-10-18(26)11-9-16/h3-11H,2,12-14H2,1H3,(H,28,29)