2-methylpropyl 3-[[4,4-bis(oxidanylidene)-5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl]carbonylamino]benzoate

Systemtic Name: 2-methylpropyl 3-[[4,4-bis(oxidanylidene)-5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl]carbonylamino]benzoate Openeye Name: isobutyl 3-[(4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carbonyl)amino]benzoate CAS Name: 3-[[(4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)-oxomethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[(4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carbonyl)amino]benzoate Traditional Name: 3-[(4,4-diketo-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carbonyl)amino]benzoic acid isobutyl ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(S(=O)(=O)CCO2)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(S(=O)(=O)CCO2)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO6S/c1-15(2)14-29-22(25)17-9-6-10-18(13-17)23-21(24)19-20(16-7-4-3-5-8-16)30(26,27)12-11-28-19/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,24)