[(2S,3S)-2-(3-bromanyl-4-methoxy-phenyl)-6-methoxy-4-oxidanylidene-2,3-dihydrochromen-3-yl] N-(4-methylphenyl)sulfonylcarbamate

Systemtic Name: [(2S,3S)-2-(3-bromanyl-4-methoxy-phenyl)-6-methoxy-4-oxidanylidene-2,3-dihydrochromen-3-yl] N-(4-methylphenyl)sulfonylcarbamate Openeye Name: [(2S,3S)-2-(3-bromo-4-methoxy-phenyl)-6-methoxy-4-oxo-chroman-3-yl] N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonylcarbamic acid [(2S,3S)-2-(3-bromo-4-methoxyphenyl)-6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2S,3S)-2-(3-bromo-4-methoxyphenyl)-6-methoxy-4-oxo-2,3-dihydrochromen-3-yl] N-(4-methylphenyl)sulfonylcarbamate Traditional Name: N-tosylcarbamic acid [(2S,3S)-2-(3-bromo-4-methoxy-phenyl)-4-keto-6-methoxy-chroman-3-yl] ester Formula: C25H22BrNO8S MolecularWeight: 576.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC2C(OC3=C(C2=O)C=C(C=C3)OC)C4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)O[C@H]2[C@@H](OC3=C(C2=O)C=C(C=C3)OC)C4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C25H22BrNO8S/c1-14-4-8-17(9-5-14)36(30,31)27-25(29)35-24-22(28)18-13-16(32-2)7-11-20(18)34-23(24)15-6-10-21(33-3)19(26)12-15/h4-13,23-24H,1-3H3,(H,27,29)/t23-,24+/m0/s1