bis(prop-2-enyl) 2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(prop-2-enyl) 2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diallyl 2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(carbamimidoylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis(prop-2-enyl) ester IUPAC Name: bis(prop-2-enyl) 2-(carbamimidoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(amidinothio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diallyl ester Formula: C22H24N4O6S MolecularWeight: 472.51416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CSC(=N)N)C(=O)OCC=C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC=C

Isomeric SMILES

CC1=C(C(C(=C(N1)CSC(=N)N)C(=O)OCC=C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC=C

InChI

InChI=1S/C22H24N4O6S/c1-4-9-31-20(27)17-13(3)25-16(12-33-22(23)24)19(21(28)32-10-5-2)18(17)14-7-6-8-15(11-14)26(29)30/h4-8,11,18,25H,1-2,9-10,12H2,3H3,(H3,23,24)