6-[[6-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]hexanoic acid

Systemtic Name: 6-[[6-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]hexanoic acid Openeye Name: 6-[[6-[(4-hydroxy-4-oxo-butanoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]hexanoic acid CAS Name: 6-[[6-[(4-hydroxy-1,4-dioxobutyl)amino]-1,3-benzothiazol-2-yl]thio]hexanoic acid IUPAC Name: 6-[[6-[(4-hydroxy-4-oxobutanoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]hexanoic acid Traditional Name: 6-[[6-[(4-hydroxy-4-keto-butanoyl)amino]-1,3-benzothiazol-2-yl]thio]hexanoic acid Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)CCC(=O)O)SC(=N2)SCCCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)CCC(=O)O)SC(=N2)SCCCCCC(=O)O

InChI

InChI=1S/C17H20N2O5S2/c20-14(7-8-16(23)24)18-11-5-6-12-13(10-11)26-17(19-12)25-9-3-1-2-4-15(21)22/h5-6,10H,1-4,7-9H2,(H,18,20)(H,21,22)(H,23,24)