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

Systemtic Name: (7S)-2-[(Z)-1-chloranyl-2-(4-methyl-3-nitro-phenyl)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-(4-methyl-3-nitro-phenyl)vinyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: (7S)-2-[(Z)-1-chloro-2-(4-methyl-3-nitrophenyl)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-(4-methyl-3-nitrophenyl)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-(4-methyl-3-nitro-phenyl)vinyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C(=CC4=CC(=C(C=C4)C)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S/c1-10-3-6-13-16(7-10)28-20-17(13)19(25)22-18(23-20)14(21)8-12-5-4-11(2)15(9-12)24(26)27/h4-5,8-10H,3,6-7H2,1-2H3,(H,22,23,25)/b14-8-/t10-/m0/s1