[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C19H17NO3S2 MolecularWeight: 371.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17NO3S2/c1-12-7-9-14(10-8-12)18(22)13(2)23-17(21)11-24-19-20-15-5-3-4-6-16(15)25-19/h3-10,13H,11H2,1-2H3