4-oxidanylidene-3-phenethyl-2-[4-(trifluoromethyloxy)phenyl]imino-1,3-thiazinane-6-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-phenethyl-2-[4-(trifluoromethyloxy)phenyl]imino-1,3-thiazinane-6-carboxylic acid Openeye Name: 4-oxo-3-phenethyl-2-[4-(trifluoromethoxy)phenyl]imino-1,3-thiazinane-6-carboxylic acid CAS Name: 4-oxo-3-phenethyl-2-[4-(trifluoromethoxy)phenyl]imino-1,3-thiazinane-6-carboxylic acid IUPAC Name: 4-oxo-3-phenethyl-2-[4-(trifluoromethoxy)phenyl]imino-1,3-thiazinane-6-carboxylic acid Traditional Name: 4-keto-3-phenethyl-2-[4-(trifluoromethoxy)phenyl]imino-1,3-thiazinane-6-carboxylic acid Formula: C20H17F3N2O4S MolecularWeight: 438.42019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3N2O4S/c21-20(22,23)29-15-8-6-14(7-9-15)24-19-25(11-10-13-4-2-1-3-5-13)17(26)12-16(30-19)18(27)28/h1-9,16H,10-12H2,(H,27,28)