2-(4-chlorophenyl)sulfanylethyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCCSC2=CC=C(C=C2)Cl)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCCSC2=CC=C(C=C2)Cl)OCC#N

InChI

InChI=1S/C20H18ClNO4S/c1-24-19-14-15(2-8-18(19)25-11-10-22)3-9-20(23)26-12-13-27-17-6-4-16(21)5-7-17/h2-9,14H,11-13H2,1H3/b9-3+