[2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-(1-methyl-2-oxo-indolin-5-yl)-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic 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] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-keto-2-(2-keto-1-methyl-indolin-5-yl)ethyl] ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)N(C(=O)C3)C

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)N(C(=O)C3)C

InChI

InChI=1S/C21H19NO5S/c1-13(23)12-28-19-6-4-3-5-16(19)21(26)27-11-18(24)14-7-8-17-15(9-14)10-20(25)22(17)2/h3-9H,10-12H2,1-2H3