4-(1,3-benzothiazol-6-ylcarbonylamino)butanoic acid

Systemtic Name: 4-(1,3-benzothiazol-6-ylcarbonylamino)butanoic acid Openeye Name: 4-(1,3-benzothiazole-6-carbonylamino)butanoic acid CAS Name: 4-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]butanoic acid IUPAC Name: 4-(1,3-benzothiazole-6-carbonylamino)butanoic acid Traditional Name: 4-(1,3-benzothiazole-6-carbonylamino)butyric acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NCCCC(=O)O)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NCCCC(=O)O)SC=N2

InChI

InChI=1S/C12H12N2O3S/c15-11(16)2-1-5-13-12(17)8-3-4-9-10(6-8)18-7-14-9/h3-4,6-7H,1-2,5H2,(H,13,17)(H,15,16)