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

Systemtic Name: methyl (2S)-2-[2-(1H-indol-3-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CC1=CNC2=CC=CC=C21

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CC1=CNC2=CC=CC=C21

InChI

InChI=1S/C16H20N2O3S/c1-21-16(20)14(7-8-22-2)18-15(19)9-11-10-17-13-6-4-3-5-12(11)13/h3-6,10,14,17H,7-9H2,1-2H3,(H,18,19)/t14-/m0/s1