2,6-dimethyl-4-(3-nitrophenyl)-5-(3-phenylsulfanylpropoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-phenylsulfanylpropoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-phenylsulfanylpropoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[oxo-[3-(phenylthio)propoxy]methyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-phenylsulfanylpropoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[3-(phenylthio)propoxycarbonyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C24H24N2O6S MolecularWeight: 468.52216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCSC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCSC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H24N2O6S/c1-15-20(23(27)28)22(17-8-6-9-18(14-17)26(30)31)21(16(2)25-15)24(29)32-12-7-13-33-19-10-4-3-5-11-19/h3-6,8-11,14,22,25H,7,12-13H2,1-2H3,(H,27,28)