[5,5-dimethyl-7-(2-oxidanylideneazepan-1-yl)thieno[3,2-b]pyran-6-yl] ethanoate

Systemtic Name: [5,5-dimethyl-7-(2-oxidanylideneazepan-1-yl)thieno[3,2-b]pyran-6-yl] ethanoate Openeye Name: [5,5-dimethyl-7-(2-oxoazepan-1-yl)thieno[3,2-b]pyran-6-yl] acetate CAS Name: acetic acid [5,5-dimethyl-7-(2-oxo-1-azepanyl)-6-thieno[3,2-b]pyranyl] ester IUPAC Name: [5,5-dimethyl-7-(2-oxoazepan-1-yl)thieno[3,2-b]pyran-6-yl] acetate Traditional Name: acetic acid [7-(2-ketoazepan-1-yl)-5,5-dimethyl-thieno[3,2-b]pyran-6-yl] ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=C(C=CS2)OC1(C)C)N3CCCCCC3=O

Isomeric SMILES

CC(=O)OC1=C(C2=C(C=CS2)OC1(C)C)N3CCCCCC3=O

InChI

InChI=1S/C17H21NO4S/c1-11(19)21-16-14(18-9-6-4-5-7-13(18)20)15-12(8-10-23-15)22-17(16,2)3/h8,10H,4-7,9H2,1-3H3