3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-4-phenoxy-butanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-4-phenoxy-butanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-4-phenoxy-butanoic acid CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-4-phenoxybutanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-4-phenoxybutanoic acid Traditional Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-4-phenoxy-butyric acid Formula: C18H15NO4S2 MolecularWeight: 373.446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO4S2/c20-16(21)10-12(17(22)23-13-6-2-1-3-7-13)11-24-18-19-14-8-4-5-9-15(14)25-18/h1-9,12H,10-11H2,(H,20,21)