6-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-oxo-hexanoic acid CAS Name: 6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoic acid IUPAC Name: 6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoic acid Traditional Name: 6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-keto-hexanoic acid Formula: C13H13ClN2O3S MolecularWeight: 312.77192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)SC(=N2)NC(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)SC(=N2)NC(=O)CCCCC(=O)O

InChI

InChI=1S/C13H13ClN2O3S/c14-8-5-6-9-10(7-8)20-13(15-9)16-11(17)3-1-2-4-12(18)19/h5-7H,1-4H2,(H,18,19)(H,15,16,17)