bis(phenylmethyl) 4-[3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-5-nitro-thiophen-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(phenylmethyl) 4-[3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-5-nitro-thiophen-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dibenzyl 4-[3-(2-methoxy-2-oxo-ethyl)sulfanyl-5-nitro-2-thienyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-[(2-methoxy-2-oxoethyl)thio]-5-nitro-2-thiophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 4-[3-(2-methoxy-2-oxoethyl)sulfanyl-5-nitrothiophen-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-[(2-keto-2-methoxy-ethyl)thio]-5-nitro-2-thienyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dibenzyl ester Formula: C30H28N2O8S2 MolecularWeight: 608.68192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=C(C=C(S3)[N+](=O)[O-])SCC(=O)OC)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=C(C=C(S3)[N+](=O)[O-])SCC(=O)OC)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H28N2O8S2/c1-18-25(29(34)39-15-20-10-6-4-7-11-20)27(28-22(41-17-24(33)38-3)14-23(42-28)32(36)37)26(19(2)31-18)30(35)40-16-21-12-8-5-9-13-21/h4-14,27,31H,15-17H2,1-3H3