(E)-2-bromanyl-3-[2-ethoxycarbonyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]but-2-enoic acid

Systemtic Name: (E)-2-bromanyl-3-[2-ethoxycarbonyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]but-2-enoic acid Openeye Name: (E)-2-bromo-3-[2-ethoxycarbonyl-1-(p-tolylsulfonyl)indol-3-yl]but-2-enoic acid CAS Name: (E)-2-bromo-3-[2-ethoxycarbonyl-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-butenoic acid IUPAC Name: (E)-2-bromo-3-[2-ethoxycarbonyl-1-(4-methylphenyl)sulfonylindol-3-yl]but-2-enoic acid Traditional Name: (E)-2-bromo-3-(2-carbethoxy-1-tosyl-indol-3-yl)but-2-enoic acid Formula: C22H20BrNO6S MolecularWeight: 506.3663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C)C(=C(C(=O)O)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C)/C(=C(\C(=O)O)/Br)/C

InChI

InChI=1S/C22H20BrNO6S/c1-4-30-22(27)20-18(14(3)19(23)21(25)26)16-7-5-6-8-17(16)24(20)31(28,29)15-11-9-13(2)10-12-15/h5-12H,4H2,1-3H3,(H,25,26)/b19-14+