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

Systemtic Name: ethyl 3-chloranyl-4-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoate Openeye Name: ethyl 3-chloro-4-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate CAS Name: 3-chloro-4-[[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate Traditional Name: 3-chloro-4-[(4-esyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid ethyl ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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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)CC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O6S/c1-3-28-20(25)13-9-10-15(14(21)11-13)22-19(24)18-12-23(30(26,27)4-2)16-7-5-6-8-17(16)29-18/h5-11,18H,3-4,12H2,1-2H3,(H,22,24)