methyl (2S)-3-(1H-indol-3-yl)-2-[2-(2-methylphenyl)sulfanylethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[2-(2-methylphenyl)sulfanylethanoylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(o-tolylsulfanyl)acetyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(o-tolylthio)acetyl]amino]propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H22N2O3S/c1-14-7-3-6-10-19(14)27-13-20(24)23-18(21(25)26-2)11-15-12-22-17-9-5-4-8-16(15)17/h3-10,12,18,22H,11,13H2,1-2H3,(H,23,24)/t18-/m0/s1