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

Systemtic Name: ethyl 4-[[4,4-bis(oxidanylidene)-5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[(4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carbonyl)amino]benzoate CAS Name: 4-[[(4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carbonyl)amino]benzoate Traditional Name: 4-[(4,4-diketo-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carbonyl)amino]benzoic acid ethyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO6S/c1-2-26-20(23)15-8-10-16(11-9-15)21-19(22)17-18(14-6-4-3-5-7-14)28(24,25)13-12-27-17/h3-11H,2,12-13H2,1H3,(H,21,22)