methyl (2S)-2-[2-(3-ethanoylindol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(3-ethanoylindol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(3-acetylindol-1-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(3-acetyl-1-indolyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(3-acetylindol-1-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(3-acetylindol-1-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C18H22N2O4S/c1-12(21)14-10-20(16-7-5-4-6-13(14)16)11-17(22)19-15(8-9-25-3)18(23)24-2/h4-7,10,15H,8-9,11H2,1-3H3,(H,19,22)/t15-/m0/s1