(7S)-2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: (7S)-2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: (7S)-2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: (7S)-2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: (7S)-2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: (7S)-2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C=CC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)/C=C/C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C21H22N2O3S/c1-12-4-6-16-17(8-12)27-21-19(16)20(24)22-18(23-21)7-5-13-9-14(25-2)11-15(10-13)26-3/h5,7,9-12H,4,6,8H2,1-3H3,(H,22,23,24)/b7-5+/t12-/m0/s1