methyl 4-[2-[[1-[4-(trifluoromethyloxy)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[[1-[4-(trifluoromethyloxy)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[1-[4-(trifluoromethoxy)phenyl]-5-tetrazolyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C18H14F3N5O4S MolecularWeight: 453.39507

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H14F3N5O4S/c1-29-16(28)11-2-4-12(5-3-11)22-15(27)10-31-17-23-24-25-26(17)13-6-8-14(9-7-13)30-18(19,20)21/h2-9H,10H2,1H3,(H,22,27)