ethyl 2-[[(2S,3S)-2-(3-bromanyl-4-methoxy-phenyl)-6-methoxy-4-oxidanylidene-2,3-dihydrochromen-3-yl]oxycarbonylamino]ethanoate

Systemtic Name: ethyl 2-[[(2S,3S)-2-(3-bromanyl-4-methoxy-phenyl)-6-methoxy-4-oxidanylidene-2,3-dihydrochromen-3-yl]oxycarbonylamino]ethanoate Openeye Name: ethyl 2-[[(2S,3S)-2-(3-bromo-4-methoxy-phenyl)-6-methoxy-4-oxo-chroman-3-yl]oxycarbonylamino]acetate CAS Name: 2-[[[(2S,3S)-2-(3-bromo-4-methoxyphenyl)-6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2S,3S)-2-(3-bromo-4-methoxyphenyl)-6-methoxy-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate Traditional Name: 2-[[(2S,3S)-2-(3-bromo-4-methoxy-phenyl)-4-keto-6-methoxy-chroman-3-yl]oxycarbonylamino]acetic acid ethyl ester Formula: C22H22BrNO8 MolecularWeight: 508.31598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)OC1C(OC2=C(C1=O)C=C(C=C2)OC)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCOC(=O)CNC(=O)O[C@H]1[C@@H](OC2=C(C1=O)C=C(C=C2)OC)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C22H22BrNO8/c1-4-30-18(25)11-24-22(27)32-21-19(26)14-10-13(28-2)6-8-16(14)31-20(21)12-5-7-17(29-3)15(23)9-12/h5-10,20-21H,4,11H2,1-3H3,(H,24,27)/t20-,21+/m0/s1