(E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-[[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methylsulfanylmethyl]pyridin-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-[[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methylsulfanylmethyl]pyridin-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-[[3-(2H-tetrazol-5-yl)phenyl]methylsulfanylmethyl]-2-pyridyl]prop-2-enoic acid CAS Name: (E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-[[[3-(2H-tetrazol-5-yl)phenyl]methylthio]methyl]-2-pyridinyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-[[3-(2H-tetrazol-5-yl)phenyl]methylsulfanylmethyl]pyridin-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-[[[3-(2H-tetrazol-5-yl)benzyl]thio]methyl]-2-pyridyl]acrylic acid Formula: C32H37N5O4S MolecularWeight: 587.73228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCCCCCOC2=C(N=C(C=C2)CSCC3=CC=CC(=C3)C4=NNN=N4)C=CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCCCCCCCOC2=C(N=C(C=C2)CSCC3=CC=CC(=C3)C4=NNN=N4)/C=C/C(=O)O

InChI

InChI=1S/C32H37N5O4S/c1-40-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-41-30-18-14-27(33-29(30)17-19-31(38)39)23-42-22-25-10-8-11-26(21-25)32-34-36-37-35-32/h8,10-19,21H,2-7,9,20,22-23H2,1H3,(H,38,39)(H,34,35,36,37)/b19-17+