methyl 2-acetamido-3-(1H-indol-3-yl)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-acetamido-3-(1H-indol-3-yl)-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-acetamido-3-benzylsulfanyl-3-(1H-indol-3-yl)propanoate CAS Name: 2-acetamido-3-(1H-indol-3-yl)-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-benzylsulfanyl-3-(1H-indol-3-yl)propanoate Traditional Name: 2-acetamido-3-(benzylthio)-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C1=CNC2=CC=CC=C21)SCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC(C(C1=CNC2=CC=CC=C21)SCC3=CC=CC=C3)C(=O)OC

InChI

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