ethyl 3-methyl-4-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-methyl-4-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoate Openeye Name: ethyl 3-methyl-4-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate CAS Name: 3-methyl-4-[[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate Traditional Name: 4-[(4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-3-methyl-benzoic acid ethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C)C

InChI

InChI=1S/C20H22N2O6S/c1-4-27-20(24)14-9-10-15(13(2)11-14)21-19(23)18-12-22(29(3,25)26)16-7-5-6-8-17(16)28-18/h5-11,18H,4,12H2,1-3H3,(H,21,23)