methyl 2-acetamido-3-(1-ethanoylindol-3-yl)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-acetamido-3-(1-ethanoylindol-3-yl)-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-acetamido-3-(1-acetylindol-3-yl)-3-benzylsulfanyl-propanoate CAS Name: 2-acetamido-3-(1-acetyl-3-indolyl)-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-(1-acetylindol-3-yl)-3-benzylsulfanylpropanoate Traditional Name: 2-acetamido-3-(1-acetylindol-3-yl)-3-(benzylthio)propionic acid methyl ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C1=CN(C2=CC=CC=C21)C(=O)C)SCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC(C(C1=CN(C2=CC=CC=C21)C(=O)C)SCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H24N2O4S/c1-15(26)24-21(23(28)29-3)22(30-14-17-9-5-4-6-10-17)19-13-25(16(2)27)20-12-8-7-11-18(19)20/h4-13,21-22H,14H2,1-3H3,(H,24,26)