(E)-3-[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxy-phenyl]-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: (E)-3-[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxy-phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxy-phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxyphenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[3-chloro-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxyphenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxy-phenyl]-2-(2-thienyl)acrylate Formula: C19H22ClNO4S MolecularWeight: 395.90028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO4S/c1-4-24-16-12-13(10-14(19(22)23)17-6-5-9-26-17)11-15(20)18(16)25-8-7-21(2)3/h5-6,9-12H,4,7-8H2,1-3H3,(H,22,23)/b14-10-