2-(4-chlorophenyl)sulfanylethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H19ClN2O2S/c1-23(2)18-7-3-15(4-8-18)13-16(14-22)20(24)25-11-12-26-19-9-5-17(21)6-10-19/h3-10,13H,11-12H2,1-2H3/b16-13+