(E)-3-(4-bromanylthiophen-2-yl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(4-bromanylthiophen-2-yl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide Openeye Name: (E)-3-(4-bromo-2-thienyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide CAS Name: (E)-3-(4-bromo-2-thiophenyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(4-bromothiophen-2-yl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide Traditional Name: (E)-3-(4-bromo-2-thienyl)-2-cyano-N-homoveratryl-acrylamide Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C(=CC2=CC(=CS2)Br)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)/C(=C/C2=CC(=CS2)Br)/C#N)OC

InChI

InChI=1S/C18H17BrN2O3S/c1-23-16-4-3-12(7-17(16)24-2)5-6-21-18(22)13(10-20)8-15-9-14(19)11-25-15/h3-4,7-9,11H,5-6H2,1-2H3,(H,21,22)/b13-8+