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

Systemtic Name: octyl 5-methyl-2-(octylamino)-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate Openeye Name: octyl 5-methyl-2-(octylamino)-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxylate CAS Name: 5-methyl-2-(octylamino)-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxylic acid octyl ester IUPAC Name: octyl 5-methyl-2-(octylamino)-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(octylamino)thieno[2,3-d][1,3]oxazine-6-carboxylic acid octyl ester Formula: C24H38N2O4S MolecularWeight: 450.63452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38N2O4S/c1-4-6-8-10-12-14-16-25-24-26-21-19(22(27)30-24)18(3)20(31-21)23(28)29-17-15-13-11-9-7-5-2/h4-17H2,1-3H3,(H,25,26)