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

Systemtic Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-isopentyloxy-3-methoxy-phenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-isoamoxy-3-methoxy-phenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C23H29NO6S2 MolecularWeight: 479.60946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO6S2/c1-16(2)10-13-30-19-7-6-17(15-20(19)29-3)14-18(23(25)26)21-8-9-22(31-21)32(27,28)24-11-4-5-12-24/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,25,26)/b18-14-