4-(1,3-benzothiazol-2-ylsulfanyloxy)-2,3-dimethyl-4-oxidanylidene-3-phenyl-butanoic acid

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyloxy)-2,3-dimethyl-4-oxidanylidene-3-phenyl-butanoic acid Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyloxy)-2,3-dimethyl-4-oxo-3-phenyl-butanoic acid CAS Name: 4-(1,3-benzothiazol-2-ylthio)oxy-2,3-dimethyl-4-oxo-3-phenylbutanoic acid IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyloxy)-2,3-dimethyl-4-oxo-3-phenylbutanoic acid Traditional Name: 4-(1,3-benzothiazol-2-ylthio)oxy-4-keto-2,3-dimethyl-3-phenyl-butyric acid Formula: C19H17NO4S2 MolecularWeight: 387.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C(C)(C1=CC=CC=C1)C(=O)OSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)O)C(C)(C1=CC=CC=C1)C(=O)OSC2=NC3=CC=CC=C3S2

InChI

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