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

Systemtic Name: methyl 4-[[3-ethyl-2-(4-iodophenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H20IN3O4S MolecularWeight: 537.37067

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20IN3O4S/c1-3-25-18(26)12-17(30-21(25)24-16-10-6-14(22)7-11-16)19(27)23-15-8-4-13(5-9-15)20(28)29-2/h4-11,17H,3,12H2,1-2H3,(H,23,27)