[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC=CC=C3SCC(=O)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC=CC=C3SCC(=O)C

InChI

InChI=1S/C22H21NO4S/c1-3-15-7-6-9-16-18(11-23-21(15)16)19(25)12-27-22(26)17-8-4-5-10-20(17)28-13-14(2)24/h4-11,23H,3,12-13H2,1-2H3