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

Systemtic Name: 3-[[3-ethyl-2-(4-iodophenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-ethyl-2-(4-iodophenyl)imino-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C20H18IN3O4S MolecularWeight: 523.34409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18IN3O4S/c1-2-24-17(25)11-16(29-20(24)23-14-8-6-13(21)7-9-14)18(26)22-15-5-3-4-12(10-15)19(27)28/h3-10,16H,2,11H2,1H3,(H,22,26)(H,27,28)