dimethyl 4-[4-(2-azanylbutylsulfanyl)-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-[4-(2-azanylbutylsulfanyl)-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-[4-(2-aminobutylsulfanyl)-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[4-(2-aminobutylthio)-3-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[4-(2-aminobutylsulfanyl)-3-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[4-(2-aminobutylthio)-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC1=C(C=C(C=C1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC)[N+](=O)[O-])N

Isomeric SMILES

CCC(CSC1=C(C=C(C=C1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC)[N+](=O)[O-])N

InChI

InChI=1S/C21H27N3O6S/c1-6-14(22)10-31-16-8-7-13(9-15(16)24(27)28)19-17(20(25)29-4)11(2)23-12(3)18(19)21(26)30-5/h7-9,14,19,23H,6,10,22H2,1-5H3