ethyl (4S)-2-azanyl-4-[(1S)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]-4H-chromene-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-[(1S)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]-4H-chromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-[(1S)-1-cyano-2-ethoxy-2-oxo-ethyl]-4H-chromene-3-carboxylate CAS Name: (4S)-2-amino-4-[(1S)-1-cyano-2-ethoxy-2-oxoethyl]-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-[(1S)-1-cyano-2-ethoxy-2-oxoethyl]-4H-chromene-3-carboxylate Traditional Name: (4S)-2-amino-4-[(1S)-1-cyano-2-ethoxy-2-keto-ethyl]-4H-chromene-3-carboxylic acid ethyl ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC=CC=C2C1C(C#N)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC=CC=C2[C@@H]1[C@@H](C#N)C(=O)OCC)N

InChI

InChI=1S/C17H18N2O5/c1-3-22-16(20)11(9-18)13-10-7-5-6-8-12(10)24-15(19)14(13)17(21)23-4-2/h5-8,11,13H,3-4,19H2,1-2H3/t11-,13-/m1/s1