ethyl 6-[[(6-ethoxycarbonylpyridin-2-yl)methylcarbamothioylamino]methyl]pyridine-2-carboxylate

Systemtic Name: ethyl 6-[[(6-ethoxycarbonylpyridin-2-yl)methylcarbamothioylamino]methyl]pyridine-2-carboxylate Openeye Name: ethyl 6-[[(6-ethoxycarbonyl-2-pyridyl)methylcarbamothioylamino]methyl]pyridine-2-carboxylate CAS Name: 6-[[[[(6-ethoxycarbonyl-2-pyridinyl)methylamino]-sulfanylidenemethyl]amino]methyl]-2-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(6-ethoxycarbonylpyridin-2-yl)methylcarbamothioylamino]methyl]pyridine-2-carboxylate Traditional Name: 6-[[(6-carbethoxy-2-pyridyl)methylthiocarbamoylamino]methyl]picolinic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CC=C1)CNC(=S)NCC2=CC=CC(=N2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=NC(=CC=C1)CNC(=S)NCC2=CC=CC(=N2)C(=O)OCC

InChI

InChI=1S/C19H22N4O4S/c1-3-26-17(24)15-9-5-7-13(22-15)11-20-19(28)21-12-14-8-6-10-16(23-14)18(25)27-4-2/h5-10H,3-4,11-12H2,1-2H3,(H2,20,21,28)