(4-methylsulfanylphenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [4-(methylthio)benzyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H22N2O3S/c1-14(24)23-20(11-16-12-22-19-6-4-3-5-18(16)19)21(25)26-13-15-7-9-17(27-2)10-8-15/h3-10,12,20,22H,11,13H2,1-2H3,(H,23,24)/t20-/m0/s1