ethyl 4-[[3-ethyl-2-(4-iodophenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-ethyl-2-(4-iodophenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[3-ethyl-2-(4-iodophenyl)imino-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid ethyl ester Formula: C22H22IN3O4S MolecularWeight: 551.39725

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)I)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)I)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H22IN3O4S/c1-3-26-19(27)13-18(31-22(26)25-17-11-7-15(23)8-12-17)20(28)24-16-9-5-14(6-10-16)21(29)30-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,24,28)