3-(1,3-benzothiazol-2-yl)-2,2-diethyl-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2,2-diethyl-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)-2,2-diethyl-4-oxo-4-sulfanyl-butanoic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-2,2-diethyl-4-mercapto-4-oxobutanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2,2-diethyl-4-oxo-4-sulfanylbutanoic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)-2,2-diethyl-4-keto-4-mercapto-butyric acid Formula: C15H17NO3S2 MolecularWeight: 323.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(C1=NC2=CC=CC=C2S1)C(=O)S)C(=O)O

Isomeric SMILES

CCC(CC)(C(C1=NC2=CC=CC=C2S1)C(=O)S)C(=O)O

InChI

InChI=1S/C15H17NO3S2/c1-3-15(4-2,14(18)19)11(13(17)20)12-16-9-7-5-6-8-10(9)21-12/h5-8,11H,3-4H2,1-2H3,(H,17,20)(H,18,19)