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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)O)C)C(=O)O1

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)O)C)C(=O)O1

InChI

InChI=1S/C24H38N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-24-26-21-19(23(29)30-24)18(2)20(31-21)22(27)28/h3-17H2,1-2H3,(H,25,26)(H,27,28)