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

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C19H17NO4S MolecularWeight: 355.40758

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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=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H17NO4S/c1-12-7-9-14(10-8-12)18(22)13(2)23-17(21)11-25-19-20-15-5-3-4-6-16(15)24-19/h3-10,13H,11H2,1-2H3/t13-/m0/s1