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

Systemtic Name: (phenylmethyl) 2-hexadecoxy-5-methyl-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate Openeye Name: benzyl 2-hexadecoxy-5-methyl-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxylate CAS Name: 2-hexadecoxy-5-methyl-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-hexadecoxy-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylate Traditional Name: 2-cetyloxy-4-keto-5-methyl-thieno[2,3-d][1,3]oxazine-6-carboxylic acid benzyl ester Formula: C31H43NO5S MolecularWeight: 541.74182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

InChI

InChI=1S/C31H43NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-35-31-32-28-26(29(33)37-31)24(2)27(38-28)30(34)36-23-25-20-17-16-18-21-25/h16-18,20-21H,3-15,19,22-23H2,1-2H3