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

Systemtic Name: 2-(4-methylphenyl)sulfanylethyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: 2-(p-tolylsulfanyl)ethyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid 2-[(4-methylphenyl)thio]ethyl ester IUPAC Name: 2-(4-methylphenyl)sulfanylethyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid 2-(p-tolylthio)ethyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCOC(=O)C=CC2=CC(=C(C=C2)OCC#N)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCOC(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC

InChI

InChI=1S/C21H21NO4S/c1-16-3-7-18(8-4-16)27-14-13-26-21(23)10-6-17-5-9-19(25-12-11-22)20(15-17)24-2/h3-10,15H,12-14H2,1-2H3/b10-6+