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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-4-oxidanylidene-butanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-4-oxo-butanoic acid CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-4-oxobutanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-4-oxobutanoic acid Traditional Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-4-methoxy-butyric acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)C(CC(=O)O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H13NO4S2/c1-18-12(17)8(6-11(15)16)7-19-13-14-9-4-2-3-5-10(9)20-13/h2-5,8H,6-7H2,1H3,(H,15,16)