[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19NO3S/c1-13-7-9-15(10-8-13)20(23)14(2)24-19(22)12-11-18-21-16-5-3-4-6-17(16)25-18/h3-10,14H,11-12H2,1-2H3/t14-/m0/s1