(E)-3-(3-ethoxy-4-methoxy-phenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C20H23NO6S2 MolecularWeight: 437.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCC3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCC3)\C(=O)O)OC

InChI

InChI=1S/C20H23NO6S2/c1-3-27-17-13-14(6-7-16(17)26-2)12-15(20(22)23)18-8-9-19(28-18)29(24,25)21-10-4-5-11-21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,23)/b15-12-