diethyl 2-[[[3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyldisulfanyl]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[[[3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyldisulfanyl]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[[[3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyldisulfanyl]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[[3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyldisulfanyl]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[[[3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyldisulfanyl]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[[3,5-dicarbethoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyldisulfanyl]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C38H42N4O12S2 MolecularWeight: 810.88968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSSCC3=C(C(C(=C(N3)C)C(=O)OCC)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSSCC3=C(C(C(=C(N3)C)C(=O)OCC)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C38H42N4O12S2/c1-7-51-35(43)29-21(5)39-27(33(37(45)53-9-3)31(29)23-13-11-15-25(17-23)41(47)48)19-55-56-20-28-34(38(46)54-10-4)32(24-14-12-16-26(18-24)42(49)50)30(22(6)40-28)36(44)52-8-2/h11-18,31-32,39-40H,7-10,19-20H2,1-6H3