methyl 6-oxidanylidene-5-(phenylcarbonylcarbamothioylamino)-1H-pyridine-3-carboxylate

Systemtic Name: methyl 6-oxidanylidene-5-(phenylcarbonylcarbamothioylamino)-1H-pyridine-3-carboxylate Openeye Name: methyl 5-(benzoylcarbamothioylamino)-6-oxo-1H-pyridine-3-carboxylate CAS Name: 5-[[benzamido(sulfanylidene)methyl]amino]-6-oxo-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(benzoylcarbamothioylamino)-6-oxo-1H-pyridine-3-carboxylate Traditional Name: 5-(benzoylthiocarbamoylamino)-6-keto-1H-pyridine-3-carboxylic acid methyl ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC(=O)C(=C1)NC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CNC(=O)C(=C1)NC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H13N3O4S/c1-22-14(21)10-7-11(13(20)16-8-10)17-15(23)18-12(19)9-5-3-2-4-6-9/h2-8H,1H3,(H,16,20)(H2,17,18,19,23)