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

Systemtic Name: ethyl 2-[[(2S,3S)-6-bromanyl-2-(3-methoxyphenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl]oxycarbonylamino]ethanoate Openeye Name: ethyl 2-[[(2S,3S)-6-bromo-2-(3-methoxyphenyl)-4-oxo-chroman-3-yl]oxycarbonylamino]acetate CAS Name: 2-[[[(2S,3S)-6-bromo-2-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2S,3S)-6-bromo-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate Traditional Name: 2-[[(2S,3S)-6-bromo-4-keto-2-(3-methoxyphenyl)chroman-3-yl]oxycarbonylamino]acetic acid ethyl ester Formula: C21H20BrNO7 MolecularWeight: 478.29

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO7/c1-3-28-17(24)11-23-21(26)30-20-18(25)15-10-13(22)7-8-16(15)29-19(20)12-5-4-6-14(9-12)27-2/h4-10,19-20H,3,11H2,1-2H3,(H,23,26)/t19-,20+/m0/s1