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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-butoxy-4-oxidanylidene-butanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-butoxy-4-oxo-butanoic acid CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-butoxy-4-oxobutanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-butoxy-4-oxobutanoic acid Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-butoxy-4-keto-butyric acid Formula: C16H19NO4S2 MolecularWeight: 353.45636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4S2/c1-2-3-8-21-14(18)9-11(15(19)20)10-22-16-17-12-6-4-5-7-13(12)23-16/h4-7,11H,2-3,8-10H2,1H3,(H,19,20)