[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S2/c1-25-15-8-4-2-6-13(15)20-17(22)12-24-19(23)11-10-18-21-14-7-3-5-9-16(14)26-18/h2-9H,10-12H2,1H3,(H,20,22)