methyl 3-(1H-indol-3-yl)-2-[2-(4-methylphenyl)sulfanylpropanoylamino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[2-(4-methylphenyl)sulfanylpropanoylamino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-[2-(p-tolylsulfanyl)propanoylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[2-[(4-methylphenyl)thio]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[2-(4-methylphenyl)sulfanylpropanoylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[2-(p-tolylthio)propanoylamino]propionic acid methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C22H24N2O3S/c1-14-8-10-17(11-9-14)28-15(2)21(25)24-20(22(26)27-3)12-16-13-23-19-7-5-4-6-18(16)19/h4-11,13,15,20,23H,12H2,1-3H3,(H,24,25)