methyl (4R)-6-chloranyl-4-[(1S)-2-methoxy-1-(4-methylphenyl)sulfonyloxy-2-oxidanylidene-ethyl]-4H-1,2-benzoxazine-3-carboxylate

Systemtic Name: methyl (4R)-6-chloranyl-4-[(1S)-2-methoxy-1-(4-methylphenyl)sulfonyloxy-2-oxidanylidene-ethyl]-4H-1,2-benzoxazine-3-carboxylate Openeye Name: methyl (4R)-6-chloro-4-[(1S)-2-methoxy-2-oxo-1-(p-tolylsulfonyloxy)ethyl]-4H-1,2-benzoxazine-3-carboxylate CAS Name: (4R)-6-chloro-4-[(1S)-2-methoxy-1-(4-methylphenyl)sulfonyloxy-2-oxoethyl]-4H-1,2-benzoxazine-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-6-chloro-4-[(1S)-2-methoxy-1-(4-methylphenyl)sulfonyloxy-2-oxoethyl]-4H-1,2-benzoxazine-3-carboxylate Traditional Name: (4R)-6-chloro-4-[(1S)-2-keto-2-methoxy-1-tosyloxy-ethyl]-4H-1,2-benzoxazine-3-carboxylic acid methyl ester Formula: C20H18ClNO8S MolecularWeight: 467.87682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2C3=C(C=CC(=C3)Cl)ON=C2C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]([C@@H]2C3=C(C=CC(=C3)Cl)ON=C2C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H18ClNO8S/c1-11-4-7-13(8-5-11)31(25,26)30-18(20(24)28-3)16-14-10-12(21)6-9-15(14)29-22-17(16)19(23)27-2/h4-10,16,18H,1-3H3/t16-,18+/m1/s1