4-oxidanylidene-3-phenethyl-2-(pyridin-4-ylcarbonylhydrazinylidene)-1,3-thiazinane-6-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-phenethyl-2-(pyridin-4-ylcarbonylhydrazinylidene)-1,3-thiazinane-6-carboxylic acid Openeye Name: 4-oxo-3-phenethyl-2-(pyridine-4-carbonylhydrazono)-1,3-thiazinane-6-carboxylic acid CAS Name: 4-oxo-2-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]-3-phenethyl-1,3-thiazinane-6-carboxylic acid IUPAC Name: 4-oxo-3-phenethyl-2-(pyridine-4-carbonylhydrazinylidene)-1,3-thiazinane-6-carboxylic acid Traditional Name: 2-(isonicotinoylhydrazono)-4-keto-3-phenethyl-1,3-thiazinane-6-carboxylic acid Formula: C19H18N4O4S MolecularWeight: 398.43562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=NNC(=O)C2=CC=NC=C2)N(C1=O)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(SC(=NNC(=O)C2=CC=NC=C2)N(C1=O)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H18N4O4S/c24-16-12-15(18(26)27)28-19(22-21-17(25)14-6-9-20-10-7-14)23(16)11-8-13-4-2-1-3-5-13/h1-7,9-10,15H,8,11-12H2,(H,21,25)(H,26,27)