(E)-3-(5-bromanylthiophen-2-yl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanylthiophen-2-yl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-thienyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(5-bromothiophen-2-yl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide Traditional Name: (E)-3-(5-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=C(S2)Br)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)/C(=C/C2=CC=C(S2)Br)/C#N)OC

InChI

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