[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[(5-chloro-2-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=NC=C(C=C2)Cl

Isomeric SMILES

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

InChI

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