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

Systemtic Name: (E)-3-[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-3-[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-thienyl)prop-2-enoic acid CAS Name: (E)-3-[3-ethoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-3-[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-3-[3-ethoxy-4-(2-pyrrolidinoethoxy)phenyl]-2-(2-thienyl)acrylic acid Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C2=CC=CS2)C(=O)O)OCCN3CCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C2=CC=CS2)\C(=O)O)OCCN3CCCC3

InChI

InChI=1S/C21H25NO4S/c1-2-25-19-15-16(14-17(21(23)24)20-6-5-13-27-20)7-8-18(19)26-12-11-22-9-3-4-10-22/h5-8,13-15H,2-4,9-12H2,1H3,(H,23,24)/b17-14-