O3-methyl O5-(2-methylsulfanylethyl) (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-(2-methylsulfanylethyl) (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-(2-methylsulfanylethyl) (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[2-(methylthio)ethyl] ester IUPAC Name: 3-O-methyl 5-O-(2-methylsulfanylethyl) (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[2-(methylthio)ethyl] ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCSC)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCSC)C

InChI

InChI=1S/C19H22N2O6S/c1-11-15(18(22)26-3)17(13-6-5-7-14(10-13)21(24)25)16(12(2)20-11)19(23)27-8-9-28-4/h5-7,10,15,17H,8-9H2,1-4H3/t15?,17-/m1/s1