(E)-2-cyano-3-(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-3-(3-allyl-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-(3-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-N-[3-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-3-(3-allyl-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-[3-(methylthio)phenyl]acrylamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CC=C)C=C(C#N)C(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

COC1=CC(=CC(=C1O)CC=C)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C21H20N2O3S/c1-4-6-15-9-14(11-19(26-2)20(15)24)10-16(13-22)21(25)23-17-7-5-8-18(12-17)27-3/h4-5,7-12,24H,1,6H2,2-3H3,(H,23,25)/b16-10+