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

Systemtic Name: ethyl 4-[(6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-3-methyl-benzoate CAS Name: 4-[[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-3-methylbenzoate Traditional Name: 4-[(6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-3-methyl-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=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

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