(E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(methylthio)-2-propenamide IUPAC Name: (E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanylprop-2-enamide Traditional Name: (E)-2-cyano-3-(homoveratrylamino)-3-(methylthio)acrylamide Formula: C15H19N3O3S MolecularWeight: 321.39466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=C(C#N)C(=O)N)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN/C(=C(/C#N)\C(=O)N)/SC)OC

InChI

InChI=1S/C15H19N3O3S/c1-20-12-5-4-10(8-13(12)21-2)6-7-18-15(22-3)11(9-16)14(17)19/h4-5,8,18H,6-7H2,1-3H3,(H2,17,19)/b15-11+