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

Systemtic Name: 2-[(E)-2-(3-methoxy-2-propan-2-yloxy-phenyl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(E)-2-(2-isopropoxy-3-methoxy-phenyl)vinyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[(E)-2-(2-isopropoxy-3-methoxy-phenyl)vinyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=C1OC)C=CC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

Isomeric SMILES

CC(C)OC1=C(C=CC=C1OC)/C=C/C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

InChI

InChI=1S/C22H24N2O3S/c1-13(2)27-20-14(7-6-9-16(20)26-3)11-12-18-23-21(25)19-15-8-4-5-10-17(15)28-22(19)24-18/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,23,24,25)/b12-11+