[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClN2O3S/c1-12-2-5-14(6-3-12)24-9-8-17(22)23-11-16(21)20-15-7-4-13(18)10-19-15/h2-7,10H,8-9,11H2,1H3,(H,19,20,21)