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

Systemtic Name: 2-methoxyethyl (4R)-2-butylsulfanyl-4-(2-chlorophenyl)-3-cyano-6-methyl-3,4-dihydropyridine-5-carboxylate Openeye Name: 2-methoxyethyl (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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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 2-methoxyethyl ester Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3S/c1-4-5-12-28-20-16(13-23)19(15-8-6-7-9-17(15)22)18(14(2)24-20)21(25)27-11-10-26-3/h6-9,16,19H,4-5,10-12H2,1-3H3/t16?,19-/m1/s1