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

Systemtic Name: (E)-3-[4-[2-(dimethylazaniumyl)ethoxy]-3-methoxy-phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[4-[2-(dimethylammonio)ethoxy]-3-methoxy-phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[4-[2-(dimethylammonio)ethoxy]-3-methoxyphenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[4-[2-(dimethylazaniumyl)ethoxy]-3-methoxyphenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[4-[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=C(C=C1)C=C(C2=CC=CS2)C(=O)[O-])OC

Isomeric SMILES

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

InChI

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