bis(2-methylsulfanylethyl) (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(2-methylsulfanylethyl) (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis(2-methylsulfanylethyl) (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid bis[2-(methylthio)ethyl] ester IUPAC Name: bis(2-methylsulfanylethyl) (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid bis[2-(methylthio)ethyl] ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S2/c1-13-17(20(24)28-8-10-30-3)19(15-6-5-7-16(12-15)23(26)27)18(14(2)22-13)21(25)29-9-11-31-4/h5-7,12,17,19H,8-11H2,1-4H3/t17?,19-/m0/s1