ethyl 6-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl 6-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 6-ethylsulfonyl-4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: 6-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: 6-esyl-4-tosyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C20H23NO7S2 MolecularWeight: 453.52912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)S(=O)(=O)CC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)S(=O)(=O)CC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H23NO7S2/c1-4-27-20(22)19-13-21(30(25,26)15-8-6-14(3)7-9-15)17-12-16(29(23,24)5-2)10-11-18(17)28-19/h6-12,19H,4-5,13H2,1-3H3