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

Systemtic Name: 4-[3-(1,3-benzothiazol-2-yl)propanoylamino]butanoic acid Openeye Name: 4-[3-(1,3-benzothiazol-2-yl)propanoylamino]butanoic acid CAS Name: 4-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[3-(1,3-benzothiazol-2-yl)propanoylamino]butanoic acid Traditional Name: 4-[3-(1,3-benzothiazol-2-yl)propanoylamino]butyric acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NCCCC(=O)O

InChI

InChI=1S/C14H16N2O3S/c17-12(15-9-3-6-14(18)19)7-8-13-16-10-4-1-2-5-11(10)20-13/h1-2,4-5H,3,6-9H2,(H,15,17)(H,18,19)