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

Systemtic Name: methyl (2S)-2-(cyanoamino)-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-(cyanoamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-(cyanoamino)-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(cyanoamino)-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-(cyanoamino)-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC#N

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2/c1-18-13(17)12(16-8-14)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,12,15-16H,6H2,1H3/t12-/m0/s1