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

Systemtic Name: (E)-3-[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxy-phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxyphenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[3-chloro-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxyphenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]-2-(2-thienyl)acrylate Formula: C18H20ClNO4S MolecularWeight: 381.8737

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1Cl)C=C(C2=CC=CS2)C(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1Cl)/C=C(/C2=CC=CS2)\C(=O)[O-])OC

InChI

InChI=1S/C18H20ClNO4S/c1-20(2)6-7-24-17-14(19)10-12(11-15(17)23-3)9-13(18(21)22)16-5-4-8-25-16/h4-5,8-11H,6-7H2,1-3H3,(H,21,22)/b13-9-