2-[1,3-benzothiazol-4-yl(ethanoyl)amino]butanoic acid

Systemtic Name: 2-[1,3-benzothiazol-4-yl(ethanoyl)amino]butanoic acid Openeye Name: 2-[acetyl(1,3-benzothiazol-4-yl)amino]butanoic acid CAS Name: 2-[acetyl(1,3-benzothiazol-4-yl)amino]butanoic acid IUPAC Name: 2-[acetyl(1,3-benzothiazol-4-yl)amino]butanoic acid Traditional Name: 2-[acetyl(1,3-benzothiazol-4-yl)amino]butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(C1=C2C(=CC=C1)SC=N2)C(=O)C

Isomeric SMILES

CCC(C(=O)O)N(C1=C2C(=CC=C1)SC=N2)C(=O)C

InChI

InChI=1S/C13H14N2O3S/c1-3-9(13(17)18)15(8(2)16)10-5-4-6-11-12(10)14-7-19-11/h4-7,9H,3H2,1-2H3,(H,17,18)