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

Systemtic Name: [(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [(1R)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(1R)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C19H17NO4S2 MolecularWeight: 387.47258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)OC)OC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17NO4S2/c1-12(18(22)13-7-9-14(23-2)10-8-13)24-17(21)11-25-19-20-15-5-3-4-6-16(15)26-19/h3-10,12H,11H2,1-2H3/t12-/m1/s1