(E)-3-(3,5-dimethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(3,5-dimethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(3,5-dimethoxyphenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(3,5-dimethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(3,5-dimethoxyphenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C19H21NO6S2 MolecularWeight: 423.50314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCC3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCC3)\C(=O)O)OC

InChI

InChI=1S/C19H21NO6S2/c1-25-14-9-13(10-15(12-14)26-2)11-16(19(21)22)17-5-6-18(27-17)28(23,24)20-7-3-4-8-20/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,22)/b16-11-