heptyl 2-heptoxy-5-methyl-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate

Systemtic Name: heptyl 2-heptoxy-5-methyl-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate Openeye Name: heptyl 2-heptoxy-5-methyl-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxylate CAS Name: 2-heptoxy-5-methyl-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-heptoxy-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylate Traditional Name: 2-heptoxy-4-keto-5-methyl-thieno[2,3-d][1,3]oxazine-6-carboxylic acid heptyl ester Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=NC2=C(C(=C(S2)C(=O)OCCCCCCC)C)C(=O)O1

Isomeric SMILES

CCCCCCCOC1=NC2=C(C(=C(S2)C(=O)OCCCCCCC)C)C(=O)O1

InChI

InChI=1S/C22H33NO5S/c1-4-6-8-10-12-14-26-21(25)18-16(3)17-19(29-18)23-22(28-20(17)24)27-15-13-11-9-7-5-2/h4-15H2,1-3H3