2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)vinyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)vinyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C=CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)/C=C/C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

InChI

InChI=1S/C21H20N2O4S/c1-25-14-10-12(11-15-19(14)27-9-8-26-15)6-7-17-22-20(24)18-13-4-2-3-5-16(13)28-21(18)23-17/h6-7,10-11H,2-5,8-9H2,1H3,(H,22,23,24)/b7-6+