prop-2-enyl (4R)-4-(2-chlorophenyl)-3-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-methyl-3,4-dihydropyridine-5-carboxylate

Systemtic Name: prop-2-enyl (4R)-4-(2-chlorophenyl)-3-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-methyl-3,4-dihydropyridine-5-carboxylate Openeye Name: allyl (4R)-4-(2-chlorophenyl)-3-cyano-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-6-methyl-3,4-dihydropyridine-5-carboxylate CAS Name: (4R)-4-(2-chlorophenyl)-3-cyano-2-[(2-ethoxy-2-oxoethyl)thio]-6-methyl-3,4-dihydropyridine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-4-(2-chlorophenyl)-3-cyano-2-(2-ethoxy-2-oxoethyl)sulfanyl-6-methyl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4R)-4-(2-chlorophenyl)-3-cyano-2-[(2-ethoxy-2-keto-ethyl)thio]-6-methyl-3,4-dihydropyridine-5-carboxylic acid allyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(C1C#N)C2=CC=CC=C2Cl)C(=O)OCC=C)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C([C@@H](C1C#N)C2=CC=CC=C2Cl)C(=O)OCC=C)C

InChI

InChI=1S/C21H21ClN2O4S/c1-4-10-28-21(26)18-13(3)24-20(29-12-17(25)27-5-2)15(11-23)19(18)14-8-6-7-9-16(14)22/h4,6-9,15,19H,1,5,10,12H2,2-3H3/t15?,19-/m1/s1