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

Systemtic Name: [(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate Openeye Name: [(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [(1R)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C17H12BrNO3S MolecularWeight: 390.25108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrNO3S/c1-10(16(20)11-2-5-13(18)6-3-11)22-17(21)12-4-7-14-15(8-12)23-9-19-14/h2-10H,1H3/t10-/m1/s1