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

Systemtic Name: (E)-3-[2-[2-(dimethylazaniumyl)ethoxy]-3-methoxy-phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[2-[2-(dimethylammonio)ethoxy]-3-methoxy-phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[2-[2-(dimethylammonio)ethoxy]-3-methoxyphenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[2-[2-(dimethylazaniumyl)ethoxy]-3-methoxyphenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[2-[2-(dimethylammonio)ethoxy]-3-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=C1OC)C=C(C2=CC=CS2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCOC1=C(C=CC=C1OC)/C=C(/C2=CC=CS2)\C(=O)[O-]

InChI

InChI=1S/C18H21NO4S/c1-19(2)9-10-23-17-13(6-4-7-15(17)22-3)12-14(18(20)21)16-8-5-11-24-16/h4-8,11-12H,9-10H2,1-3H3,(H,20,21)/b14-12-