2-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methylsulfanyl-ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methylsulfanyl-ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methylsulfanyl-vinyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(methylthio)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methylsulfanylethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(methylthio)vinyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H18N2O4S2 MolecularWeight: 450.53002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=C(C3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3)SC

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C(/C3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3)\SC

InChI

InChI=1S/C23H18N2O4S2/c1-27-16-8-13(9-17-20(16)29-12-28-17)10-18(30-2)21-24-22(26)19-15(11-31-23(19)25-21)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,24,25,26)/b18-10-