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

Systemtic Name: (phenylmethyl) 5-methyl-2-octoxy-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate Openeye Name: benzyl 5-methyl-2-octoxy-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxylate CAS Name: 5-methyl-2-octoxy-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-2-octoxy-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-octoxy-thieno[2,3-d][1,3]oxazine-6-carboxylic acid benzyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

Isomeric SMILES

CCCCCCCCOC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

InChI

InChI=1S/C23H27NO5S/c1-3-4-5-6-7-11-14-27-23-24-20-18(21(25)29-23)16(2)19(30-20)22(26)28-15-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-15H2,1-2H3