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

Systemtic Name: 2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioic acid Openeye Name: 2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioic acid CAS Name: 2-[[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]methyl]butanedioic acid IUPAC Name: 2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioic acid Traditional Name: 2-[[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]methyl]succinic acid Formula: C13H10F3NO4S2 MolecularWeight: 365.34801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F3NO4S2/c14-13(15,16)7-1-2-8-9(4-7)23-12(17-8)22-5-6(11(20)21)3-10(18)19/h1-2,4,6H,3,5H2,(H,18,19)(H,20,21)