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

Systemtic Name: 4-[[2-(4-iodophenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[2-(4-iodophenyl)imino-4-keto-3-methyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C19H16IN3O4S MolecularWeight: 509.31751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(SC1=NC2=CC=C(C=C2)I)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1C(=O)CC(SC1=NC2=CC=C(C=C2)I)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16IN3O4S/c1-23-16(24)10-15(28-19(23)22-14-8-4-12(20)5-9-14)17(25)21-13-6-2-11(3-7-13)18(26)27/h2-9,15H,10H2,1H3,(H,21,25)(H,26,27)