2-[2-[[1-[4-(trifluoromethyloxy)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[2-[[1-[4-(trifluoromethyloxy)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[1-oxo-2-[[1-[4-(trifluoromethoxy)phenyl]-5-tetrazolyl]thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[[2-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C19H16F3N5O4S2 MolecularWeight: 499.48665

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)OC(F)(F)F)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C19H16F3N5O4S2/c20-19(21,22)31-11-7-5-10(6-8-11)27-18(24-25-26-27)32-9-14(28)23-16-15(17(29)30)12-3-1-2-4-13(12)33-16/h5-8H,1-4,9H2,(H,23,28)(H,29,30)