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

Systemtic Name: bis(2-propan-2-ylsulfanylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis(2-isopropylsulfanylethyl) 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-(propan-2-ylthio)ethyl] ester IUPAC Name: bis(2-propan-2-ylsulfanylethyl) 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-(isopropylthio)ethyl] ester Formula: C25H34N2O6S2 MolecularWeight: 522.67726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O6S2/c1-15(2)34-12-10-32-24(28)21-17(5)26-18(6)22(25(29)33-11-13-35-16(3)4)23(21)19-8-7-9-20(14-19)27(30)31/h7-9,14-16,23,26H,10-13H2,1-6H3