2-(4-chlorophenyl)sulfanylethyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4,5-trimethoxyphenyl)acrylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C20H21ClO5S MolecularWeight: 408.89574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)OCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClO5S/c1-23-17-12-14(13-18(24-2)20(17)25-3)4-9-19(22)26-10-11-27-16-7-5-15(21)6-8-16/h4-9,12-13H,10-11H2,1-3H3/b9-4+