(E)-3-[4-[2-(diethylazaniumyl)ethoxy]-3-ethoxy-phenyl]-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: (E)-3-[4-[2-(diethylazaniumyl)ethoxy]-3-ethoxy-phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[4-[2-(diethylammonio)ethoxy]-3-ethoxy-phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[4-[2-(diethylammonio)ethoxy]-3-ethoxyphenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[4-[2-(diethylazaniumyl)ethoxy]-3-ethoxyphenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[4-[2-(diethylammonio)ethoxy]-3-ethoxy-phenyl]-2-(2-thienyl)acrylate Formula: C21H27NO4S MolecularWeight: 389.50838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=C(C=C1)C=C(C2=CC=CS2)C(=O)[O-])OCC

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=C(C=C1)/C=C(/C2=CC=CS2)\C(=O)[O-])OCC

InChI

InChI=1S/C21H27NO4S/c1-4-22(5-2)11-12-26-18-10-9-16(15-19(18)25-6-3)14-17(21(23)24)20-8-7-13-27-20/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,23,24)/b17-14-