[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSCC[C@@H](C(=O)OCC(=O)C1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-30-11-10-19(25-21(27)14-6-8-15(23)9-7-14)22(28)29-13-20(26)17-12-24-18-5-3-2-4-16(17)18/h2-9,12,19,24H,10-11,13H2,1H3,(H,25,27)/t19-/m0/s1