dimethyl 2-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O8S/c1-28-19(24)12-8-9-13(20(25)29-2)14(10-12)21-18(23)17-11-22(31(3,26)27)15-6-4-5-7-16(15)30-17/h4-10,17H,11H2,1-3H3,(H,21,23)