ethyl (3R,4R)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: ethyl (3R,4R)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: ethyl (3R,4R)-3-cyano-4,6-diphenyl-2-thioxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: (3R,4R)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: (3R,4R)-3-cyano-4,6-diphenyl-2-thioxo-3,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)C(C1C2=CC=CC=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)[C@H]([C@@H]1C2=CC=CC=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O2S/c1-2-25-21(24)18-17(14-9-5-3-6-10-14)16(13-22)20(26)23-19(18)15-11-7-4-8-12-15/h3-12,16-17H,2H2,1H3,(H,23,26)/t16-,17-/m0/s1