2-[4-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[4-[[2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chloro-phenyl]phenoxy]acetic acid CAS Name: 2-[4-[4-[[2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-3-chlorophenyl]phenoxy]acetic acid IUPAC Name: 2-[4-[4-[[2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chlorophenyl]phenoxy]acetic acid Traditional Name: 2-[4-[4-[[2-[[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]thio]acetyl]amino]-3-chloro-phenyl]phenoxy]acetic acid Formula: C27H25Cl2N5O4S MolecularWeight: 586.4895

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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)C4=CC=C(C=C4)OCC(=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)C4=CC=C(C=C4)OCC(=O)O)Cl)Cl

InChI

InChI=1S/C27H25Cl2N5O4S/c1-27(2,3)18-7-11-23(21(29)13-18)34-26(31-32-33-34)39-15-24(35)30-22-10-6-17(12-20(22)28)16-4-8-19(9-5-16)38-14-25(36)37/h4-13H,14-15H2,1-3H3,(H,30,35)(H,36,37)