(7S)-2-[(Z)-2-[3,4-bis(fluoranyl)phenyl]-1-chloranyl-ethenyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: (7S)-2-[(Z)-2-[3,4-bis(fluoranyl)phenyl]-1-chloranyl-ethenyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: (7S)-2-[(Z)-1-chloro-2-(3,4-difluorophenyl)vinyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: (7S)-2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: (7S)-2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: (7S)-2-[(Z)-1-chloro-2-(3,4-difluorophenyl)vinyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C19H15ClF2N2OS MolecularWeight: 392.850006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClF2N2OS/c1-9-2-4-11-15(6-9)26-19-16(11)18(25)23-17(24-19)12(20)7-10-3-5-13(21)14(22)8-10/h3,5,7-9H,2,4,6H2,1H3,(H,23,24,25)/b12-7-/t9-/m0/s1