[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C13H8ClN3O3S MolecularWeight: 321.73892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(=O)OCC(=O)NC2=C(C=CS2)C#N)Cl

Isomeric SMILES

C1=CC(=NC=C1C(=O)OCC(=O)NC2=C(C=CS2)C#N)Cl

InChI

InChI=1S/C13H8ClN3O3S/c14-10-2-1-9(6-16-10)13(19)20-7-11(18)17-12-8(5-15)3-4-21-12/h1-4,6H,7H2,(H,17,18)