[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C19H17NO3S2 MolecularWeight: 371.47318

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17NO3S2/c1-24-14-8-6-13(7-9-14)16(21)12-23-19(22)11-10-18-20-15-4-2-3-5-17(15)25-18/h2-9H,10-12H2,1H3