(E)-3-(4-propoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-propoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-propoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(4-propoxyphenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-propoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-propoxyphenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCC3)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCC3)\C(=O)O

InChI

InChI=1S/C20H23NO5S2/c1-2-13-26-16-7-5-15(6-8-16)14-17(20(22)23)18-9-10-19(27-18)28(24,25)21-11-3-4-12-21/h5-10,14H,2-4,11-13H2,1H3,(H,22,23)/b17-14-