[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 2,3-dimethyl-1H-indole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 2,3-dimethyl-1H-indole-5-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 2,3-dimethyl-1H-indole-5-carboxylate CAS Name: 2,3-dimethyl-1H-indole-5-carboxylic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 2,3-dimethyl-1H-indole-5-carboxylate Traditional Name: 2,3-dimethyl-1H-indole-5-carboxylic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)OCC(=O)NC(=O)CCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)OCC(=O)NC(=O)CCSC3=CC=CC=C3)C

InChI

InChI=1S/C22H22N2O4S/c1-14-15(2)23-19-9-8-16(12-18(14)19)22(27)28-13-21(26)24-20(25)10-11-29-17-6-4-3-5-7-17/h3-9,12,23H,10-11,13H2,1-2H3,(H,24,25,26)