ethyl 3-[(6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate CAS Name: 3-[[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate Traditional Name: 3-[(6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid ethyl ester Formula: C19H19ClN2O6S MolecularWeight: 438.88196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H19ClN2O6S/c1-3-27-19(24)12-5-4-6-14(9-12)21-18(23)17-11-22(29(2,25)26)15-10-13(20)7-8-16(15)28-17/h4-10,17H,3,11H2,1-2H3,(H,21,23)