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

Systemtic Name: 3-[[2-(4-fluorophenyl)imino-4-oxidanylidene-3-phenethyl-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(4-fluorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(4-fluorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-fluorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(4-fluorophenyl)imino-4-keto-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C26H22FN3O4S MolecularWeight: 491.533983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=NC2=CC=C(C=C2)F)N(C1=O)CCC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1C(SC(=NC2=CC=C(C=C2)F)N(C1=O)CCC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H22FN3O4S/c27-19-9-11-20(12-10-19)29-26-30(14-13-17-5-2-1-3-6-17)23(31)16-22(35-26)24(32)28-21-8-4-7-18(15-21)25(33)34/h1-12,15,22H,13-14,16H2,(H,28,32)(H,33,34)