[(2R)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [(2R)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate Openeye Name: [(1R)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [(1R)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@@H](C)OC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C19H17NO4S/c1-3-23-15-7-4-13(5-8-15)18(21)12(2)24-19(22)14-6-9-16-17(10-14)25-11-20-16/h4-12H,3H2,1-2H3/t12-/m1/s1