prop-2-enyl (4R)-2-butylsulfanyl-4-(2-chlorophenyl)-3-cyano-6-methyl-3,4-dihydropyridine-5-carboxylate

Systemtic Name: prop-2-enyl (4R)-2-butylsulfanyl-4-(2-chlorophenyl)-3-cyano-6-methyl-3,4-dihydropyridine-5-carboxylate Openeye Name: allyl (4R)-2-butylsulfanyl-4-(2-chlorophenyl)-3-cyano-6-methyl-3,4-dihydropyridine-5-carboxylate CAS Name: (4R)-2-(butylthio)-4-(2-chlorophenyl)-3-cyano-6-methyl-3,4-dihydropyridine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-2-butylsulfanyl-4-(2-chlorophenyl)-3-cyano-6-methyl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4R)-2-(butylthio)-4-(2-chlorophenyl)-3-cyano-6-methyl-3,4-dihydropyridine-5-carboxylic acid allyl ester Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C(C1C#N)C2=CC=CC=C2Cl)C(=O)OCC=C)C

Isomeric SMILES

CCCCSC1=NC(=C([C@@H](C1C#N)C2=CC=CC=C2Cl)C(=O)OCC=C)C

InChI

InChI=1S/C21H23ClN2O2S/c1-4-6-12-27-20-16(13-23)19(15-9-7-8-10-17(15)22)18(14(3)24-20)21(25)26-11-5-2/h5,7-10,16,19H,2,4,6,11-12H2,1,3H3/t16?,19-/m1/s1