2-cyanoethyl (4R)-5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-cyanoethyl (4R)-5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-cyanoethyl (4R)-5-cyano-6-(2-ethoxy-2-oxo-ethyl)sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4R)-5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (4R)-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-5-cyano-6-[(2-ethoxy-2-keto-ethyl)thio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCCC#N)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)CSC1=C([C@@H](C(=C(N1)C)C(=O)OCCC#N)C2=CC=CC=C2)C#N

InChI

InChI=1S/C21H21N3O4S/c1-3-27-17(25)13-29-20-16(12-23)19(15-8-5-4-6-9-15)18(14(2)24-20)21(26)28-11-7-10-22/h4-6,8-9,19,24H,3,7,11,13H2,1-2H3/t19-/m0/s1