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

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C18H18BrNO5S2 MolecularWeight: 472.37322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO5S2/c1-25-15-5-4-13(19)10-12(15)11-14(18(21)22)16-6-7-17(26-16)27(23,24)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)/b14-11-