(E)-3-[4-[2-[4-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenyl]-2-methyl-but-3-yn-2-yl]oxyethanoylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[2-[4-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenyl]-2-methyl-but-3-yn-2-yl]oxyethanoylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[2-[3-[4-[[2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chloro-phenyl]-1,1-dimethyl-prop-2-ynoxy]acetyl]amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[2-[4-[4-[[2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-3-chlorophenyl]-2-methylbut-3-yn-2-yl]oxy-1-oxoethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[2-[4-[4-[[2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chlorophenyl]-2-methylbut-3-yn-2-yl]oxyacetyl]amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[2-[3-[4-[[2-[[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]thio]acetyl]amino]-3-chloro-phenyl]-1,1-dimethyl-prop-2-ynoxy]acetyl]amino]phenyl]acrylic acid Formula: C35H34Cl2N6O5S MolecularWeight: 721.65266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C#CC(C)(C)OCC(=O)NC4=CC=C(C=C4)C=CC(=O)O)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C#CC(C)(C)OCC(=O)NC4=CC=C(C=C4)/C=C/C(=O)O)Cl)Cl

InChI

InChI=1S/C35H34Cl2N6O5S/c1-34(2,3)24-10-14-29(27(37)19-24)43-33(40-41-42-43)49-21-31(45)39-28-13-8-23(18-26(28)36)16-17-35(4,5)48-20-30(44)38-25-11-6-22(7-12-25)9-15-32(46)47/h6-15,18-19H,20-21H2,1-5H3,(H,38,44)(H,39,45)(H,46,47)/b15-9+