4-(1,2-benzothiazol-3-ylamino)butanoic acid

Systemtic Name: 4-(1,2-benzothiazol-3-ylamino)butanoic acid Openeye Name: 4-(1,2-benzothiazol-3-ylamino)butanoic acid CAS Name: 4-(1,2-benzothiazol-3-ylamino)butanoic acid IUPAC Name: 4-(1,2-benzothiazol-3-ylamino)butanoic acid Traditional Name: 4-(1,2-benzothiazol-3-ylamino)butyric acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2)NCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2)NCCCC(=O)O

InChI

InChI=1S/C11H12N2O2S/c14-10(15)6-3-7-12-11-8-4-1-2-5-9(8)16-13-11/h1-2,4-5H,3,6-7H2,(H,12,13)(H,14,15)