[8-ethanoylsulfanyl-3,6-bis(oxidanylidene)octyl] 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: [8-ethanoylsulfanyl-3,6-bis(oxidanylidene)octyl] 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: (8-acetylsulfanyl-3,6-dioxo-octyl) 4-(2-benzyloxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid [8-(acetylthio)-3,6-dioxooctyl] ester IUPAC Name: (8-acetylsulfanyl-3,6-dioxooctyl) 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-benzoxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid [8-(acetylthio)-3,6-diketo-octyl] ester Formula: C31H34N2O8S MolecularWeight: 594.67526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)OCCC(=O)CCC(=O)CCSC(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)OCCC(=O)CCC(=O)CCSC(=O)C

InChI

InChI=1S/C31H34N2O8S/c1-20-28(31(37)40-17-15-24(35)13-14-25(36)16-18-42-22(3)34)29(30(33(38)39)21(2)32-20)26-11-7-8-12-27(26)41-19-23-9-5-4-6-10-23/h4-12,29,32H,13-19H2,1-3H3