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

Systemtic Name: 4-[3-(1,3-benzothiazol-2-yl)propanoyl-methyl-amino]butanoic acid Openeye Name: 4-[3-(1,3-benzothiazol-2-yl)propanoyl-methyl-amino]butanoic acid CAS Name: 4-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]-methylamino]butanoic acid IUPAC Name: 4-[3-(1,3-benzothiazol-2-yl)propanoyl-methylamino]butanoic acid Traditional Name: 4-[3-(1,3-benzothiazol-2-yl)propanoyl-methyl-amino]butyric acid Formula: C15H18N2O3S MolecularWeight: 306.38002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H18N2O3S/c1-17(10-4-7-15(19)20)14(18)9-8-13-16-11-5-2-3-6-12(11)21-13/h2-3,5-6H,4,7-10H2,1H3,(H,19,20)