ethyl (4S)-2-azanyl-8-bromanyl-6-chloranyl-4-[(1R)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]-4H-chromene-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-8-bromanyl-6-chloranyl-4-[(1R)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]-4H-chromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-8-bromo-6-chloro-4-[(1R)-1-cyano-2-ethoxy-2-oxo-ethyl]-4H-chromene-3-carboxylate CAS Name: (4S)-2-amino-8-bromo-6-chloro-4-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-8-bromo-6-chloro-4-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-4H-chromene-3-carboxylate Traditional Name: (4S)-2-amino-8-bromo-6-chloro-4-[(1R)-1-cyano-2-ethoxy-2-keto-ethyl]-4H-chromene-3-carboxylic acid ethyl ester Formula: C17H16BrClN2O5 MolecularWeight: 443.67634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrClN2O5/c1-3-24-16(22)10(7-20)12-9-5-8(19)6-11(18)14(9)26-15(21)13(12)17(23)25-4-2/h5-6,10,12H,3-4,21H2,1-2H3/t10-,12+/m0/s1