methyl (2S)-2-(ethanethioylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-(ethanethioylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-(ethanethioylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(1-sulfanylideneethylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(ethanethioylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(thioacetylamino)propionic acid methyl ester Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC(CC1=CNC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CC(=S)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C14H16N2O2S/c1-9(19)16-13(14(17)18-2)7-10-8-15-12-6-4-3-5-11(10)12/h3-6,8,13,15H,7H2,1-2H3,(H,16,19)/t13-/m0/s1