ethyl 2-(2,2-dimethyldecanethioyl)-3-oxidanylidene-4H-1,4-benzoxazine-5-carboxylate

Systemtic Name: ethyl 2-(2,2-dimethyldecanethioyl)-3-oxidanylidene-4H-1,4-benzoxazine-5-carboxylate Openeye Name: ethyl 2-(2,2-dimethyldecanethioyl)-3-oxo-4H-1,4-benzoxazine-5-carboxylate CAS Name: 2-(2,2-dimethyl-1-sulfanylidenedecyl)-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,2-dimethyldecanethioyl)-3-oxo-4H-1,4-benzoxazine-5-carboxylate Traditional Name: 2-(2,2-dimethyldecanethioyl)-3-keto-4H-1,4-benzoxazine-5-carboxylic acid ethyl ester Formula: C23H33NO4S MolecularWeight: 419.57742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)(C)C(=S)C1C(=O)NC2=C(C=CC=C2O1)C(=O)OCC

Isomeric SMILES

CCCCCCCCC(C)(C)C(=S)C1C(=O)NC2=C(C=CC=C2O1)C(=O)OCC

InChI

InChI=1S/C23H33NO4S/c1-5-7-8-9-10-11-15-23(3,4)20(29)19-21(25)24-18-16(22(26)27-6-2)13-12-14-17(18)28-19/h12-14,19H,5-11,15H2,1-4H3,(H,24,25)