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

Systemtic Name: [(2S,3S)-2-(1,3-benzodioxol-5-yl)-6-bromanyl-4-oxidanylidene-2,3-dihydrochromen-3-yl] N-cyclopentylcarbamate Openeye Name: [(2S,3S)-2-(1,3-benzodioxol-5-yl)-6-bromo-4-oxo-chroman-3-yl] N-cyclopentylcarbamate CAS Name: N-cyclopentylcarbamic 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-cyclopentylcarbamate Traditional Name: N-cyclopentylcarbamic acid [(2S,3S)-2-(1,3-benzodioxol-5-yl)-6-bromo-4-keto-chroman-3-yl] ester Formula: C22H20BrNO6 MolecularWeight: 474.3013

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)OC2C(OC3=C(C2=O)C=C(C=C3)Br)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)NC(=O)O[C@H]2[C@@H](OC3=C(C2=O)C=C(C=C3)Br)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20BrNO6/c23-13-6-8-16-15(10-13)19(25)21(30-22(26)24-14-3-1-2-4-14)20(29-16)12-5-7-17-18(9-12)28-11-27-17/h5-10,14,20-21H,1-4,11H2,(H,24,26)/t20-,21+/m0/s1