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

Systemtic Name: ethyl (4S)-2-azanyl-6-bromanyl-4-[(1R)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]-8-methoxy-4H-chromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-6-bromo-4-[(1R)-1-cyano-2-ethoxy-2-oxo-ethyl]-8-methoxy-4H-chromene-3-carboxylate CAS Name: (4S)-2-amino-6-bromo-4-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-8-methoxy-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-6-bromo-4-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-8-methoxy-4H-chromene-3-carboxylate Traditional Name: (4S)-2-amino-6-bromo-4-[(1R)-1-cyano-2-ethoxy-2-keto-ethyl]-8-methoxy-4H-chromene-3-carboxylic acid ethyl ester Formula: C18H19BrN2O6 MolecularWeight: 439.25726

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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)Br)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O6/c1-4-25-17(22)11(8-20)13-10-6-9(19)7-12(24-3)15(10)27-16(21)14(13)18(23)26-5-2/h6-7,11,13H,4-5,21H2,1-3H3/t11-,13+/m0/s1