[5-[(E)-4-(diethylamino)-4-oxidanylidene-but-2-en-2-yl]-2-(thiophen-3-ylmethoxy)phenyl] ethaneperoxoate

Systemtic Name: [5-[(E)-4-(diethylamino)-4-oxidanylidene-but-2-en-2-yl]-2-(thiophen-3-ylmethoxy)phenyl] ethaneperoxoate Openeye Name: [5-[(E)-3-(diethylamino)-1-methyl-3-oxo-prop-1-enyl]-2-(3-thienylmethoxy)phenyl] peroxyacetate CAS Name: ethaneperoxoic acid [5-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-2-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [5-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-2-(thiophen-3-ylmethoxy)phenyl] ethaneperoxoate Traditional Name: peracetic acid [5-[(E)-3-(diethylamino)-3-keto-1-methyl-prop-1-enyl]-2-(3-thenyloxy)phenyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C=C(C)C1=CC(=C(C=C1)OCC2=CSC=C2)OOC(=O)C

Isomeric SMILES

CCN(CC)C(=O)/C=C(\C)/C1=CC(=C(C=C1)OCC2=CSC=C2)OOC(=O)C

InChI

InChI=1S/C21H25NO5S/c1-5-22(6-2)21(24)11-15(3)18-7-8-19(20(12-18)27-26-16(4)23)25-13-17-9-10-28-14-17/h7-12,14H,5-6,13H2,1-4H3/b15-11+