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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CC1=C2C(=CC=C1)SC=N2

Isomeric SMILES

CCC(C(=O)O)NC(=O)CC1=C2C(=CC=C1)SC=N2

InChI

InChI=1S/C13H14N2O3S/c1-2-9(13(17)18)15-11(16)6-8-4-3-5-10-12(8)14-7-19-10/h3-5,7,9H,2,6H2,1H3,(H,15,16)(H,17,18)