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

Systemtic Name: (E)-3-[2-[2-(dimethylazaniumyl)ethoxy]-4-methoxy-phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[2-[2-(dimethylammonio)ethoxy]-4-methoxy-phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[2-[2-(dimethylammonio)ethoxy]-4-methoxyphenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[2-[2-(dimethylazaniumyl)ethoxy]-4-methoxyphenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[2-[2-(dimethylammonio)ethoxy]-4-methoxy-phenyl]-2-(2-thienyl)acrylate Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S/c1-19(2)8-9-23-16-12-14(22-3)7-6-13(16)11-15(18(20)21)17-5-4-10-24-17/h4-7,10-12H,8-9H2,1-3H3,(H,20,21)/b15-11-