ethyl 4-(4-tert-butylphenyl)sulfonyl-6-chloranyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl 4-(4-tert-butylphenyl)sulfonyl-6-chloranyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: 4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H24ClNO5S/c1-5-27-20(24)19-13-23(17-12-15(22)8-11-18(17)28-19)29(25,26)16-9-6-14(7-10-16)21(2,3)4/h6-12,19H,5,13H2,1-4H3