2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]butanedioic acid

Systemtic Name: 2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]butanedioic acid Openeye Name: 2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]butanedioic acid CAS Name: 2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]butanedioic acid IUPAC Name: 2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]butanedioic acid Traditional Name: 2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]succinic acid Formula: C13H10F3NO4S MolecularWeight: 333.28301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)SC(=N2)CC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)SC(=N2)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H10F3NO4S/c14-13(15,16)7-1-2-8-9(5-7)22-10(17-8)3-6(12(20)21)4-11(18)19/h1-2,5-6H,3-4H2,(H,18,19)(H,20,21)