4-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoyl-methyl-amino]butanoic acid Openeye Name: 4-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl-methyl-amino]butanoic acid CAS Name: 4-[[[(6-chloro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl-methylamino]butanoic acid Traditional Name: 4-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl-methyl-amino]butyric acid Formula: C13H14ClN3O3S MolecularWeight: 327.78656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl

Isomeric SMILES

CN(CCCC(=O)O)C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3O3S/c1-17(6-2-3-11(18)19)13(20)16-12-15-9-5-4-8(14)7-10(9)21-12/h4-5,7H,2-3,6H2,1H3,(H,18,19)(H,15,16,20)