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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxidanylidene-butanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxo-butanoic acid CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethoxy-4-oxobutanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxobutanoic acid Traditional Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethoxy-4-keto-butyric acid Formula: C14H15NO4S2 MolecularWeight: 325.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4S2/c1-2-19-13(18)9(7-12(16)17)8-20-14-15-10-5-3-4-6-11(10)21-14/h3-6,9H,2,7-8H2,1H3,(H,16,17)