3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)sulfonyl-5-oxidanyl-indole-4-carboxylate

Systemtic Name: 3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)sulfonyl-5-oxidanyl-indole-4-carboxylate Openeye Name: 3-ethoxycarbonyl-5-hydroxy-2-methyl-1-(p-tolylsulfonyl)indole-4-carboxylate CAS Name: 3-ethoxycarbonyl-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonyl-4-indolecarboxylate IUPAC Name: 3-ethoxycarbonyl-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindole-4-carboxylate Traditional Name: 3-carbethoxy-5-hydroxy-2-methyl-1-tosyl-indole-4-carboxylate Formula: C20H18NO7S- MolecularWeight: 416.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C20H19NO7S/c1-4-28-20(25)16-12(3)21(29(26,27)13-7-5-11(2)6-8-13)14-9-10-15(22)18(17(14)16)19(23)24/h5-10,22H,4H2,1-3H3,(H,23,24)/p-1