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

Systemtic Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C/C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

InChI

InChI=1S/C20H18N2O4S/c1-24-13-8-11(9-14-18(13)26-10-25-14)6-7-16-21-19(23)17-12-4-2-3-5-15(12)27-20(17)22-16/h6-9H,2-5,10H2,1H3,(H,21,22,23)/b7-6+