methyl (2S)-2-[2-(7-methoxyindol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(7-methoxyindol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(7-methoxyindol-1-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(7-methoxy-1-indolyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(7-methoxyindol-1-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(7-methoxyindol-1-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N(C=C2)CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

COC1=CC=CC2=C1N(C=C2)CC(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C17H22N2O4S/c1-22-14-6-4-5-12-7-9-19(16(12)14)11-15(20)18-13(8-10-24-3)17(21)23-2/h4-7,9,13H,8,10-11H2,1-3H3,(H,18,20)/t13-/m0/s1