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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCCC(C)C1=CC2=C(C=C1)OCC3=C(C2=O)SC=C3

Isomeric SMILES

CCCC(=O)OCCCC(C)C1=CC2=C(C=C1)OCC3=C(C2=O)SC=C3

InChI

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