(E)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: (E)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-thienyl)prop-2-enoic acid CAS Name: (E)-3-[4-methoxy-2-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-3-[4-methoxy-2-(2-pyrrolidinoethoxy)phenyl]-2-(2-thienyl)acrylic acid Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=C(C2=CC=CS2)C(=O)O)OCCN3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C(/C2=CC=CS2)\C(=O)O)OCCN3CCCC3

InChI

InChI=1S/C20H23NO4S/c1-24-16-7-6-15(13-17(20(22)23)19-5-4-12-26-19)18(14-16)25-11-10-21-8-2-3-9-21/h4-7,12-14H,2-3,8-11H2,1H3,(H,22,23)/b17-13-