[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O3S/c17-16-13(7-4-9-18-16)19-14(20)11-22-15(21)8-10-23-12-5-2-1-3-6-12/h1-7,9H,8,10-11H2,(H,19,20)