(E)-3-[4-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonylphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonylphenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(3-ethoxycarbonyl-1-ethyl-2-methyl-5-indolyl)oxysulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-ethoxycarbonyl-1-ethyl-2-methylindol-5-yl)oxysulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3-carbethoxy-1-ethyl-2-methyl-indol-5-yl)oxysulfonylphenyl]acrylic acid Formula: C23H23NO7S MolecularWeight: 457.49622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)C=CC(=O)O)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)O)C(=O)OCC)C

InChI

InChI=1S/C23H23NO7S/c1-4-24-15(3)22(23(27)30-5-2)19-14-17(9-12-20(19)24)31-32(28,29)18-10-6-16(7-11-18)8-13-21(25)26/h6-14H,4-5H2,1-3H3,(H,25,26)/b13-8+