[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)sulfanylethanoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)sulfanylethanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 2-(4-acetamidophenyl)sulfanylacetate CAS Name: 2-[(4-acetamidophenyl)thio]acetic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate Traditional Name: 2-[(4-acetamidophenyl)thio]acetic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C17H16ClN3O4S/c1-11(22)20-12-4-6-13(7-5-12)26-10-16(24)25-9-15(23)21-14-3-2-8-19-17(14)18/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)