[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C22H20N4O3S/c1-26(2)18-9-7-16(8-10-18)13-17(14-24)22(28)29-15-21(27)25-19-5-3-4-6-20(19)30-12-11-23/h3-10,13H,12,15H2,1-2H3,(H,25,27)/b17-13+