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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-4-phenylmethoxy-butanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-benzyloxy-4-oxo-butanoic acid CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-4-phenylmethoxybutanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-4-phenylmethoxybutanoic acid Traditional Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-benzoxy-4-keto-butyric acid Formula: C19H17NO4S2 MolecularWeight: 387.47258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO4S2/c21-17(22)10-14(18(23)24-11-13-6-2-1-3-7-13)12-25-19-20-15-8-4-5-9-16(15)26-19/h1-9,14H,10-12H2,(H,21,22)