[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-(N-methylanilino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-(N-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-methylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-keto-2-(N-methylanilino)ethyl] ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

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