ethyl (2S)-2-[(4S)-2-azanyl-3-cyano-4H-chromen-4-yl]-2-cyano-ethanoate

Systemtic Name: ethyl (2S)-2-[(4S)-2-azanyl-3-cyano-4H-chromen-4-yl]-2-cyano-ethanoate Openeye Name: ethyl (2S)-2-[(4S)-2-amino-3-cyano-4H-chromen-4-yl]-2-cyano-acetate CAS Name: (2S)-2-[(4S)-2-amino-3-cyano-4H-1-benzopyran-4-yl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(4S)-2-amino-3-cyano-4H-chromen-4-yl]-2-cyanoacetate Traditional Name: (2S)-2-[(4S)-2-amino-3-cyano-4H-chromen-4-yl]-2-cyano-acetic acid ethyl ester Formula: C15H13N3O3 MolecularWeight: 283.28202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1C2=CC=CC=C2OC(=C1C#N)N

Isomeric SMILES

CCOC(=O)[C@H](C#N)[C@H]1C2=CC=CC=C2OC(=C1C#N)N

InChI

InChI=1S/C15H13N3O3/c1-2-20-15(19)11(8-17)13-9-5-3-4-6-12(9)21-14(18)10(13)7-16/h3-6,11,13H,2,18H2,1H3/t11-,13+/m1/s1