4-(10-oxidanylidene-4H-thieno[3,2-c][1]benzoxepin-8-yl)butyl 2,2-dimethylpropanoate

Systemtic Name: 4-(10-oxidanylidene-4H-thieno[3,2-c][1]benzoxepin-8-yl)butyl 2,2-dimethylpropanoate Openeye Name: 4-(10-oxo-4H-thieno[3,2-c][1]benzoxepin-8-yl)butyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 4-(10-oxo-4H-thieno[3,2-c][1]benzoxepin-8-yl)butyl ester IUPAC Name: 4-(10-oxo-4H-thieno[3,2-c][1]benzoxepin-8-yl)butyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 4-(10-keto-4H-thieno[3,2-c][1]benzoxepin-8-yl)butyl ester Formula: C21H24O4S MolecularWeight: 372.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCCC1=CC2=C(C=C1)OCC3=C(C2=O)SC=C3

Isomeric SMILES

CC(C)(C)C(=O)OCCCCC1=CC2=C(C=C1)OCC3=C(C2=O)SC=C3

InChI

InChI=1S/C21H24O4S/c1-21(2,3)20(23)24-10-5-4-6-14-7-8-17-16(12-14)18(22)19-15(13-25-17)9-11-26-19/h7-9,11-12H,4-6,10,13H2,1-3H3