(E)-2-cyano-N-(4-methoxyphenyl)-3-methylsulfanyl-3-phenacylsulfanyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(4-methoxyphenyl)-3-methylsulfanyl-3-phenacylsulfanyl-prop-2-enamide Openeye Name: (E)-2-cyano-N-(4-methoxyphenyl)-3-methylsulfanyl-3-phenacylsulfanyl-prop-2-enamide CAS Name: (E)-2-cyano-N-(4-methoxyphenyl)-3-(methylthio)-3-(phenacylthio)-2-propenamide IUPAC Name: (E)-2-cyano-N-(4-methoxyphenyl)-3-methylsulfanyl-3-phenacylsulfanylprop-2-enamide Traditional Name: (E)-2-cyano-N-(4-methoxyphenyl)-3-(methylthio)-3-(phenacylthio)acrylamide Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=C(SC)SCC(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)/C(=C(\SC)/SCC(=O)C2=CC=CC=C2)/C#N

InChI

InChI=1S/C20H18N2O3S2/c1-25-16-10-8-15(9-11-16)22-19(24)17(12-21)20(26-2)27-13-18(23)14-6-4-3-5-7-14/h3-11H,13H2,1-2H3,(H,22,24)/b20-17+