[2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(1-methyl-2-oxo-indolin-5-yl)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-keto-2-(2-keto-1-methyl-indolin-5-yl)ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC2=C1C=CC(=C2)C(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN1C(=O)CC2=C1C=CC(=C2)C(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H21NO5S/c1-23-18-8-5-15(11-16(18)12-21(23)26)20(25)13-28-22(27)10-9-19(24)14-3-6-17(29-2)7-4-14/h3-8,11H,9-10,12-13H2,1-2H3