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

Systemtic Name: 2-cyanoethyl 5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-cyanoethyl 5-cyano-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-[(2-methoxy-2-oxoethyl)thio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-keto-2-methoxy-ethyl)thio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=CC=C2)C(=O)OCCC#N

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=CC=C2)C(=O)OCCC#N

InChI

InChI=1S/C20H19N3O4S/c1-13-17(20(25)27-10-6-9-21)18(14-7-4-3-5-8-14)15(11-22)19(23-13)28-12-16(24)26-2/h3-5,7-8,18,23H,6,10,12H2,1-2H3