hexyl 2-heptyl-5-methyl-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate

Systemtic Name: hexyl 2-heptyl-5-methyl-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate Openeye Name: hexyl 2-heptyl-5-methyl-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxylate CAS Name: 2-heptyl-5-methyl-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-heptyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylate Traditional Name: 2-heptyl-4-keto-5-methyl-thieno[2,3-d][1,3]oxazine-6-carboxylic acid hexyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC2=C(C(=C(S2)C(=O)OCCCCCC)C)C(=O)O1

Isomeric SMILES

CCCCCCCC1=NC2=C(C(=C(S2)C(=O)OCCCCCC)C)C(=O)O1

InChI

InChI=1S/C21H31NO4S/c1-4-6-8-10-11-13-16-22-19-17(20(23)26-16)15(3)18(27-19)21(24)25-14-12-9-7-5-2/h4-14H2,1-3H3