(E)-3-[3-(3,4-dihydro-1,2-benzodioxin-6-ylsulfanyloxy)-4-sulfanyl-phenyl]-1-morpholin-4-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[3-(3,4-dihydro-1,2-benzodioxin-6-ylsulfanyloxy)-4-sulfanyl-phenyl]-1-morpholin-4-yl-prop-2-en-1-one Openeye Name: (E)-3-[3-(3,4-dihydro-1,2-benzodioxin-6-ylsulfanyloxy)-4-sulfanyl-phenyl]-1-morpholino-prop-2-en-1-one CAS Name: 3,4-dihydro-1,2-benzodioxin-6-sulfenic acid [2-mercapto-5-[(E)-3-(4-morpholinyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: (E)-3-[3-(3,4-dihydro-1,2-benzodioxin-6-ylsulfanyloxy)-4-sulfanylphenyl]-1-morpholin-4-ylprop-2-en-1-one Traditional Name: (E)-3-[3-(3,4-dihydro-1,2-benzodioxin-6-ylthio)oxy-4-mercapto-phenyl]-1-morpholino-prop-2-en-1-one Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1COOC2=C1C=C(C=C2)SOC3=C(C=CC(=C3)C=CC(=O)N4CCOCC4)S

Isomeric SMILES

C1COOC2=C1C=C(C=C2)SOC3=C(C=CC(=C3)/C=C/C(=O)N4CCOCC4)S

InChI

InChI=1S/C21H21NO5S2/c23-21(22-8-11-24-12-9-22)6-2-15-1-5-20(28)19(13-15)27-29-17-3-4-18-16(14-17)7-10-25-26-18/h1-6,13-14,28H,7-12H2/b6-2+