4-[[2-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]imino-4-oxidanylidene-3-phenethyl-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]imino-4-oxidanylidene-3-phenethyl-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-[4-[chloro(difluoro)methoxy]phenyl]imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-[4-[chloro(difluoro)methoxy]phenyl]imino-4-oxo-3-phenethyl-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-[chloro(difluoro)methoxy]phenyl]imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[2-[4-[chloro(difluoro)methoxy]phenyl]imino-4-keto-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C27H22ClF2N3O5S MolecularWeight: 573.995486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClF2N3O5S/c28-27(29,30)38-21-12-10-20(11-13-21)32-26-33(15-14-17-4-2-1-3-5-17)23(34)16-22(39-26)24(35)31-19-8-6-18(7-9-19)25(36)37/h1-13,22H,14-16H2,(H,31,35)(H,36,37)