(phenylmethyl) 2-octan-2-yloxy-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate

Systemtic Name: (phenylmethyl) 2-octan-2-yloxy-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate Openeye Name: benzyl 2-(1-methylheptoxy)-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxylate CAS Name: 2-octan-2-yloxy-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-octan-2-yloxy-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylate Traditional Name: 4-keto-2-(1-methylheptoxy)thieno[2,3-d][1,3]oxazine-6-carboxylic acid benzyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=NC2=C(C=C(S2)C(=O)OCC3=CC=CC=C3)C(=O)O1

Isomeric SMILES

CCCCCCC(C)OC1=NC2=C(C=C(S2)C(=O)OCC3=CC=CC=C3)C(=O)O1

InChI

InChI=1S/C22H25NO5S/c1-3-4-5-7-10-15(2)27-22-23-19-17(20(24)28-22)13-18(29-19)21(25)26-14-16-11-8-6-9-12-16/h6,8-9,11-13,15H,3-5,7,10,14H2,1-2H3