methyl 2-[2-[methyl-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[methyl-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[methyl-(2-thioxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]benzoate CAS Name: 2-[[2-[methyl-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[methyl-(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[methyl-(2-thioxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2=CC=CNC2=S

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2=CC=CNC2=S

InChI

InChI=1S/C17H17N3O4S/c1-20(16(22)12-7-5-9-18-15(12)25)10-14(21)19-13-8-4-3-6-11(13)17(23)24-2/h3-9H,10H2,1-2H3,(H,18,25)(H,19,21)