methyl (4S)-5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl (4S)-5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4S)-5-cyano-2-methyl-4-(2-nitrophenyl)-6-(o-tolylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-6-[(2-methylphenyl)methylthio]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-2-methyl-6-[(2-methylbenzyl)thio]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC=C1CSC2=C([C@H](C(=C(N2)C)C(=O)OC)C3=CC=CC=C3[N+](=O)[O-])C#N

InChI

InChI=1S/C23H21N3O4S/c1-14-8-4-5-9-16(14)13-31-22-18(12-24)21(20(15(2)25-22)23(27)30-3)17-10-6-7-11-19(17)26(28)29/h4-11,21,25H,13H2,1-3H3/t21-/m1/s1