bis(2-methylsulfanylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(2-methylsulfanylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis(2-methylsulfanylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis[2-(methylthio)ethyl] ester IUPAC Name: bis(2-methylsulfanylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-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=C(C(C(=C(N1)C)C(=O)OCCSC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCSC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCSC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCSC

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/h5-7,12,19,22H,8-11H2,1-4H3