dimethyl 4-(2-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(2-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(2-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(2-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2N=C=S)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2N=C=S)C(=O)OC

InChI

InChI=1S/C18H18N2O4S/c1-10-14(17(21)23-3)16(15(11(2)20-10)18(22)24-4)12-7-5-6-8-13(12)19-9-25/h5-8,16,20H,1-4H3