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

Systemtic Name: 4-(3-oxidanylidene-1,2-benzothiazol-2-yl)butanoic acid Openeye Name: 4-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid CAS Name: 4-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid IUPAC Name: 4-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid Traditional Name: 4-(3-keto-1,2-benzothiazol-2-yl)butyric acid Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2)CCCC(=O)O

InChI

InChI=1S/C11H11NO3S/c13-10(14)6-3-7-12-11(15)8-4-1-2-5-9(8)16-12/h1-2,4-5H,3,6-7H2,(H,13,14)