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

Systemtic Name: methyl (4S)-2-azanyl-6-bromanyl-4-[(1R)-1-cyano-2-methoxy-2-oxidanylidene-ethyl]-4H-chromene-3-carboxylate Openeye Name: methyl (4S)-2-amino-6-bromo-4-[(1R)-1-cyano-2-methoxy-2-oxo-ethyl]-4H-chromene-3-carboxylate CAS Name: (4S)-2-amino-6-bromo-4-[(1R)-1-cyano-2-methoxy-2-oxoethyl]-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-amino-6-bromo-4-[(1R)-1-cyano-2-methoxy-2-oxoethyl]-4H-chromene-3-carboxylate Traditional Name: (4S)-2-amino-6-bromo-4-[(1R)-1-cyano-2-keto-2-methoxy-ethyl]-4H-chromene-3-carboxylic acid methyl ester Formula: C15H13BrN2O5 MolecularWeight: 381.17812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1C(C#N)C(=O)OC)C=C(C=C2)Br)N

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN2O5/c1-21-14(19)9(6-17)11-8-5-7(16)3-4-10(8)23-13(18)12(11)15(20)22-2/h3-5,9,11H,18H2,1-2H3/t9-,11+/m0/s1