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

Systemtic Name: (Z)-3-[2-ethoxycarbonyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-2-thiophen-2-yl-but-2-enoic acid Openeye Name: (Z)-3-[2-ethoxycarbonyl-1-(p-tolylsulfonyl)indol-3-yl]-2-(2-thienyl)but-2-enoic acid CAS Name: (Z)-3-[2-ethoxycarbonyl-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-thiophen-2-yl-2-butenoic acid IUPAC Name: (Z)-3-[2-ethoxycarbonyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-thiophen-2-ylbut-2-enoic acid Traditional Name: (Z)-3-(2-carbethoxy-1-tosyl-indol-3-yl)-2-(2-thienyl)but-2-enoic acid Formula: C26H23NO6S2 MolecularWeight: 509.59392

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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(C4=CC=CS4)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C)/C(=C(\C4=CC=CS4)/C(=O)O)/C

InChI

InChI=1S/C26H23NO6S2/c1-4-33-26(30)24-22(17(3)23(25(28)29)21-10-7-15-34-21)19-8-5-6-9-20(19)27(24)35(31,32)18-13-11-16(2)12-14-18/h5-15H,4H2,1-3H3,(H,28,29)/b23-17+