ethyl (E)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-2-phenyl-prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-2-phenyl-prop-2-enoate Openeye Name: ethyl (E)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-2-phenyl-prop-2-enoate CAS Name: (E)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(methylthio)-2-phenyl-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-2-phenylprop-2-enoate Traditional Name: (E)-3-(homoveratrylamino)-3-(methylthio)-2-phenyl-acrylic acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NCCC1=CC(=C(C=C1)OC)OC)SC)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C(\NCCC1=CC(=C(C=C1)OC)OC)/SC)/C2=CC=CC=C2

InChI

InChI=1S/C22H27NO4S/c1-5-27-22(24)20(17-9-7-6-8-10-17)21(28-4)23-14-13-16-11-12-18(25-2)19(15-16)26-3/h6-12,15,23H,5,13-14H2,1-4H3/b21-20+