5-methyl-2-(octylamino)-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylic acid

Systemtic Name: 5-methyl-2-(octylamino)-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylic acid Openeye Name: 5-methyl-2-(octylamino)-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxylic acid CAS Name: 5-methyl-2-(octylamino)-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxylic acid IUPAC Name: 5-methyl-2-(octylamino)-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-2-(octylamino)thieno[2,3-d][1,3]oxazine-6-carboxylic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)O)C)C(=O)O1

Isomeric SMILES

CCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)O)C)C(=O)O1

InChI

InChI=1S/C16H22N2O4S/c1-3-4-5-6-7-8-9-17-16-18-13-11(15(21)22-16)10(2)12(23-13)14(19)20/h3-9H2,1-2H3,(H,17,18)(H,19,20)