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

Systemtic Name: 2-(dodecylamino)-5-methyl-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylic acid Openeye Name: 2-(dodecylamino)-5-methyl-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxylic acid CAS Name: 2-(dodecylamino)-5-methyl-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxylic acid IUPAC Name: 2-(dodecylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylic acid Traditional Name: 4-keto-2-(laurylamino)-5-methyl-thieno[2,3-d][1,3]oxazine-6-carboxylic acid Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)O)C)C(=O)O1

Isomeric SMILES

CCCCCCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)O)C)C(=O)O1

InChI

InChI=1S/C20H30N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-21-20-22-17-15(19(25)26-20)14(2)16(27-17)18(23)24/h3-13H2,1-2H3,(H,21,22)(H,23,24)