2-(6-butyl-5-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-(6-butyl-5-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(6-butyl-5-chloro-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-(6-butyl-5-chloro-1,3-benzothiazol-2-yl)-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-(6-butyl-5-chloro-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-(6-butyl-5-chloro-1,3-benzothiazol-2-yl)-4-keto-4-mercapto-butyric acid Formula: C15H16ClNO3S2 MolecularWeight: 357.87544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1Cl)N=C(S2)C(CC(=O)S)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1Cl)N=C(S2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C15H16ClNO3S2/c1-2-3-4-8-5-12-11(7-10(8)16)17-14(22-12)9(15(19)20)6-13(18)21/h5,7,9H,2-4,6H2,1H3,(H,18,21)(H,19,20)