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

Systemtic Name: ethyl (6R)-2-benzamido-6-cyano-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-2-benzamido-6-cyano-6-phenyl-5,7-dihydro-4H-benzothiophene-3-carboxylate CAS Name: (6R)-2-benzamido-6-cyano-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-2-benzamido-6-cyano-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-benzamido-6-cyano-6-phenyl-5,7-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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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=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@](C2)(C#N)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c1-2-30-24(29)21-19-13-14-25(16-26,18-11-7-4-8-12-18)15-20(19)31-23(21)27-22(28)17-9-5-3-6-10-17/h3-12H,2,13-15H2,1H3,(H,27,28)/t25-/m0/s1