[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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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)NCCSC2=CC=CC=C2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C22H23N3O3S/c1-25(2)19-10-8-17(9-11-19)14-18(15-23)22(27)28-16-21(26)24-12-13-29-20-6-4-3-5-7-20/h3-11,14H,12-13,16H2,1-2H3,(H,24,26)/b18-14+