[(4E,6E)-1-sulfanylocta-4,6-dien-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [(4E,6E)-1-sulfanylocta-4,6-dien-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [(3E,5E)-1-(sulfanylmethyl)hepta-3,5-dienyl] (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid [(4E,6E)-1-mercaptoocta-4,6-dien-2-yl] ester IUPAC Name: [(4E,6E)-1-sulfanylocta-4,6-dien-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [(3E,5E)-1-(mercaptomethyl)hepta-3,5-dienyl] ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CCC(CS)OC(=O)C=CC1=CC=C(C=C1)OC

Isomeric SMILES

C/C=C/C=C/CC(CS)OC(=O)/C=C/C1=CC=C(C=C1)OC

InChI

InChI=1S/C18H22O3S/c1-3-4-5-6-7-17(14-22)21-18(19)13-10-15-8-11-16(20-2)12-9-15/h3-6,8-13,17,22H,7,14H2,1-2H3/b4-3+,6-5+,13-10+