1-ethanoylsulfanylhexyl 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 1-ethanoylsulfanylhexyl 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 1-acetylsulfanylhexyl 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 1-(acetylthio)hexyl ester IUPAC Name: 1-acetylsulfanylhexyl 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 1-(acetylthio)hexyl ester Formula: C29H34N2O6S MolecularWeight: 538.65506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(OC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OCC3=CC=CC=C3)[N+](=O)[O-])C)C)SC(=O)C

Isomeric SMILES

CCCCCC(OC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OCC3=CC=CC=C3)[N+](=O)[O-])C)C)SC(=O)C

InChI

InChI=1S/C29H34N2O6S/c1-5-6-8-17-25(38-21(4)32)37-29(33)26-19(2)30-20(3)28(31(34)35)27(26)23-15-11-12-16-24(23)36-18-22-13-9-7-10-14-22/h7,9-16,25,27,30H,5-6,8,17-18H2,1-4H3