ethyl (2S)-2-cyano-3-[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]imino-propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]imino-propanoate Openeye Name: ethyl (2S)-2-cyano-3-[(1R)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]imino-propanoate CAS Name: (2S)-2-cyano-3-[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]iminopropanoate Traditional Name: (2S)-2-cyano-3-[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]imino-propionic acid ethyl ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-3-25-17(22)13(9-19)11-21-16(18(23)24-2)8-12-10-20-15-7-5-4-6-14(12)15/h4-7,10-11,13,16,20H,3,8H2,1-2H3/t13-,16-/m1/s1