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

Systemtic Name: (phenylmethyl) 2-dodecoxy-5-methyl-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate Openeye Name: benzyl 2-dodecoxy-5-methyl-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxylate CAS Name: 2-dodecoxy-5-methyl-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-dodecoxy-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylate Traditional Name: 4-keto-2-lauryloxy-5-methyl-thieno[2,3-d][1,3]oxazine-6-carboxylic acid benzyl ester Formula: C27H35NO5S MolecularWeight: 485.6355

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

Isomeric SMILES

CCCCCCCCCCCCOC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

InChI

InChI=1S/C27H35NO5S/c1-3-4-5-6-7-8-9-10-11-15-18-31-27-28-24-22(25(29)33-27)20(2)23(34-24)26(30)32-19-21-16-13-12-14-17-21/h12-14,16-17H,3-11,15,18-19H2,1-2H3