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

Systemtic Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]butanoic acid Openeye Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]butanoic acid CAS Name: 3-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]butanoic acid Traditional Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]butyric acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(CC(=O)O)NC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H16N2O3S/c1-9(8-14(18)19)15-12(17)6-7-13-16-10-4-2-3-5-11(10)20-13/h2-5,9H,6-8H2,1H3,(H,15,17)(H,18,19)