methyl (3S,4S)-6-bromanyl-4-[(4-methylphenyl)sulfonylmethylcarbamoyl]-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate

Systemtic Name: methyl (3S,4S)-6-bromanyl-4-[(4-methylphenyl)sulfonylmethylcarbamoyl]-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate Openeye Name: methyl (3S,4S)-6-bromo-2-oxo-4-(p-tolylsulfonylmethylcarbamoyl)chromane-3-carboxylate CAS Name: (3S,4S)-6-bromo-4-[[(4-methylphenyl)sulfonylmethylamino]-oxomethyl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-6-bromo-4-[(4-methylphenyl)sulfonylmethylcarbamoyl]-2-oxo-3,4-dihydrochromene-3-carboxylate Traditional Name: (3S,4S)-6-bromo-2-keto-4-(tosylmethylcarbamoyl)chroman-3-carboxylic acid methyl ester Formula: C20H18BrNO7S MolecularWeight: 496.32842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)C2C(C(=O)OC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@H]2[C@H](C(=O)OC3=C2C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C20H18BrNO7S/c1-11-3-6-13(7-4-11)30(26,27)10-22-18(23)16-14-9-12(21)5-8-15(14)29-20(25)17(16)19(24)28-2/h3-9,16-17H,10H2,1-2H3,(H,22,23)/t16-,17+/m1/s1