[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 5-indolin-1-ylsulfonyl-2-methoxy-benzoate CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-indolin-1-ylsulfonyl-2-methoxy-benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C25H23NO6S2 MolecularWeight: 497.58322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C25H23NO6S2/c1-31-24-12-11-20(34(29,30)26-14-13-17-5-3-4-6-22(17)26)15-21(24)25(28)32-16-23(27)18-7-9-19(33-2)10-8-18/h3-12,15H,13-14,16H2,1-2H3