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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(C1C#N)C2=CC=CC=C2)C(=O)OCCC#N)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C([C@@H](C1C#N)C2=CC=CC=C2)C(=O)OCCC#N)C

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/h4-6,8-9,16,19H,3,7,11,13H2,1-2H3/t16?,19-/m1/s1