methyl 2-methoxy-5-[[(2-sulfanylidene-1H-pyridin-3-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[(2-sulfanylidene-1H-pyridin-3-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[(2-thioxo-1H-pyridine-3-carbonyl)amino]methyl]benzoate CAS Name: 2-methoxy-5-[[[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]methyl]benzoate Traditional Name: 2-methoxy-5-[[(2-thioxo-1H-pyridine-3-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=CNC2=S)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=CNC2=S)C(=O)OC

InChI

InChI=1S/C16H16N2O4S/c1-21-13-6-5-10(8-12(13)16(20)22-2)9-18-14(19)11-4-3-7-17-15(11)23/h3-8H,9H2,1-2H3,(H,17,23)(H,18,19)