2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid

Systemtic Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid Openeye Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid CAS Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]butanedioic acid IUPAC Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid Traditional Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]succinic acid Formula: C12H8F3NO4S2 MolecularWeight: 351.32143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N=C(S2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N=C(S2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H8F3NO4S2/c13-12(14,15)5-1-2-7-6(3-5)16-11(21-7)22-8(10(19)20)4-9(17)18/h1-3,8H,4H2,(H,17,18)(H,19,20)