methyl (E)-3-[3-[4-(4-methoxyphenyl)butoxy]-6-(phenylsulfanylmethyl)pyridin-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[3-[4-(4-methoxyphenyl)butoxy]-6-(phenylsulfanylmethyl)pyridin-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[3-[4-(4-methoxyphenyl)butoxy]-6-(phenylsulfanylmethyl)-2-pyridyl]prop-2-enoate CAS Name: (E)-3-[3-[4-(4-methoxyphenyl)butoxy]-6-[(phenylthio)methyl]-2-pyridinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[4-(4-methoxyphenyl)butoxy]-6-(phenylsulfanylmethyl)pyridin-2-yl]prop-2-enoate Traditional Name: (E)-3-[3-[4-(4-methoxyphenyl)butoxy]-6-[(phenylthio)methyl]-2-pyridyl]acrylic acid methyl ester Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCOC2=C(N=C(C=C2)CSC3=CC=CC=C3)C=CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCCCOC2=C(N=C(C=C2)CSC3=CC=CC=C3)/C=C/C(=O)OC

InChI

InChI=1S/C27H29NO4S/c1-30-23-14-11-21(12-15-23)8-6-7-19-32-26-17-13-22(20-33-24-9-4-3-5-10-24)28-25(26)16-18-27(29)31-2/h3-5,9-18H,6-8,19-20H2,1-2H3/b18-16+