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

Systemtic Name: 1-ethanoylsulfanylbutyl 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 1-acetylsulfanylbutyl 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)butyl ester IUPAC Name: 1-acetylsulfanylbutyl 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)butyl ester Formula: C27H30N2O6S MolecularWeight: 510.6019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O6S/c1-5-11-23(36-19(4)30)35-27(31)24-17(2)28-18(3)26(29(32)33)25(24)21-14-9-10-15-22(21)34-16-20-12-7-6-8-13-20/h6-10,12-15,23,25,28H,5,11,16H2,1-4H3