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

Systemtic Name: [5-[(E)-4-(diethylamino)-4-oxidanylidene-but-2-en-2-yl]-2-(thiophen-2-ylmethoxy)phenyl] ethaneperoxoate Openeye Name: [5-[(E)-3-(diethylamino)-1-methyl-3-oxo-prop-1-enyl]-2-(2-thienylmethoxy)phenyl] peroxyacetate CAS Name: ethaneperoxoic acid [5-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-2-(thiophen-2-ylmethoxy)phenyl] ester IUPAC Name: [5-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-2-(thiophen-2-ylmethoxy)phenyl] ethaneperoxoate Traditional Name: peracetic acid [5-[(E)-3-(diethylamino)-3-keto-1-methyl-prop-1-enyl]-2-(2-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=CC=CS2)OOC(=O)C

Isomeric SMILES

CCN(CC)C(=O)/C=C(\C)/C1=CC(=C(C=C1)OCC2=CC=CS2)OOC(=O)C

InChI

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