[(2S,3S)-2-(1,3-benzodioxol-5-yl)-6-bromanyl-4-oxidanylidene-2,3-dihydrochromen-3-yl] N-(furan-2-ylmethyl)carbamate

Systemtic Name: [(2S,3S)-2-(1,3-benzodioxol-5-yl)-6-bromanyl-4-oxidanylidene-2,3-dihydrochromen-3-yl] N-(furan-2-ylmethyl)carbamate Openeye Name: [(2S,3S)-2-(1,3-benzodioxol-5-yl)-6-bromo-4-oxo-chroman-3-yl] N-(2-furylmethyl)carbamate CAS Name: N-(2-furanylmethyl)carbamic acid [(2S,3S)-2-(1,3-benzodioxol-5-yl)-6-bromo-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2S,3S)-2-(1,3-benzodioxol-5-yl)-6-bromo-4-oxo-2,3-dihydrochromen-3-yl] N-(furan-2-ylmethyl)carbamate Traditional Name: N-(2-furfuryl)carbamic acid [(2S,3S)-2-(1,3-benzodioxol-5-yl)-6-bromo-4-keto-chroman-3-yl] ester Formula: C22H16BrNO7 MolecularWeight: 486.26894

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(C(=O)C4=C(O3)C=CC(=C4)Br)OC(=O)NCC5=CC=CO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@H]3[C@@H](C(=O)C4=C(O3)C=CC(=C4)Br)OC(=O)NCC5=CC=CO5

InChI

InChI=1S/C22H16BrNO7/c23-13-4-6-16-15(9-13)19(25)21(31-22(26)24-10-14-2-1-7-27-14)20(30-16)12-3-5-17-18(8-12)29-11-28-17/h1-9,20-21H,10-11H2,(H,24,26)/t20-,21+/m0/s1