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

Systemtic Name: (phenylmethyl) 5-methyl-4-oxidanylidene-2-undecyl-thieno[2,3-d][1,3]oxazine-6-carboxylate Openeye Name: benzyl 5-methyl-4-oxo-2-undecyl-thieno[2,3-d][1,3]oxazine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-undecyl-6-thieno[2,3-d][1,3]oxazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-4-oxo-2-undecylthieno[2,3-d][1,3]oxazine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-undecyl-thieno[2,3-d][1,3]oxazine-6-carboxylic acid benzyl ester Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

Isomeric SMILES

CCCCCCCCCCCC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

InChI

InChI=1S/C26H33NO4S/c1-3-4-5-6-7-8-9-10-14-17-21-27-24-22(25(28)31-21)19(2)23(32-24)26(29)30-18-20-15-12-11-13-16-20/h11-13,15-16H,3-10,14,17-18H2,1-2H3