6-(1-ethanoyl-4,5-dihydroimidazol-2-yl)-10,10-bis(oxidanylidene)-2-propoxy-thioxanthen-9-one

Systemtic Name: 6-(1-ethanoyl-4,5-dihydroimidazol-2-yl)-10,10-bis(oxidanylidene)-2-propoxy-thioxanthen-9-one Openeye Name: 6-(1-acetyl-4,5-dihydroimidazol-2-yl)-10,10-dioxo-2-propoxy-thioxanthen-9-one CAS Name: 6-(1-acetyl-4,5-dihydroimidazol-2-yl)-10,10-dioxo-2-propoxy-9-thioxanthenone IUPAC Name: 6-(1-acetyl-4,5-dihydroimidazol-2-yl)-10,10-dioxo-2-propoxythioxanthen-9-one Traditional Name: 6-(1-acetyl-2-imidazolin-2-yl)-10,10-diketo-2-propoxy-thioxanthen-9-one Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C4=NCCN4C(=O)C

Isomeric SMILES

CCCOC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C4=NCCN4C(=O)C

InChI

InChI=1S/C21H20N2O5S/c1-3-10-28-15-5-7-18-17(12-15)20(25)16-6-4-14(11-19(16)29(18,26)27)21-22-8-9-23(21)13(2)24/h4-7,11-12H,3,8-10H2,1-2H3