(E)-3-[2-(2-dimethylaminoethyloxy)-3-methoxy-phenyl]-2-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: (E)-3-[2-(2-dimethylaminoethyloxy)-3-methoxy-phenyl]-2-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-3-[2-(2-dimethylaminoethyloxy)-3-methoxy-phenyl]-2-(2-thienyl)prop-2-enoic acid CAS Name: (E)-3-[2-(2-dimethylaminoethyloxy)-3-methoxyphenyl]-2-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-3-[2-(2-dimethylaminoethyloxy)-3-methoxyphenyl]-2-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-3-[2-(2-dimethylaminoethyloxy)-3-methoxy-phenyl]-2-(2-thienyl)acrylic acid Formula: C18H21NO4S MolecularWeight: 347.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=C(C=CC=C1OC)C=C(C2=CC=CS2)C(=O)O

Isomeric SMILES

CN(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-