[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CC=N3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CC=N3

InChI

InChI=1S/C19H18N4O4S/c1-28-14-6-4-5-13(11-14)21-16(24)12-26-18(25)9-8-17-22-19(23-27-17)15-7-2-3-10-20-15/h2-7,10-11H,8-9,12H2,1H3,(H,21,24)