Product OPENEYE NAME: 2-fluoro-9H-thioxanthene
CAS Name: 2-fluoro-9H-thioxanthene
IUPAC NAME: 2-fluoro-9H-thioxanthene
SYSTEMATIC NAME: 2-fluoranyl-9H-thioxanthene
MOLECULAR FORMULA: C13H9FS
MOLECULAR WEIGHT: 216.273963
SMILES: C1C2=CC=CC=C2SC3=C1C=C(C=C3)F
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Product OPENEYE NAME: 2-methoxy-9H-thioxanthene
CAS Name: 2-methoxy-9H-thioxanthene
IUPAC NAME: 2-methoxy-9H-thioxanthene
SYSTEMATIC NAME: 2-methoxy-9H-thioxanthene
MOLECULAR FORMULA: C14H12OS
MOLECULAR WEIGHT: 228.30948
SMILES: COC1=CC2=C(C=C1)SC3=CC=CC=C3C2
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MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: CC1=C[C@@]23[C@@H](CCO2)C[C@@H]3C(=O)O1
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Product OPENEYE NAME: (1R,5S)-5-acetonyl-4-oxabicyclo[3.2.0]heptane-6-carboxylic acid
CAS Name: (1R,5S)-5-(2-oxopropyl)-4-oxabicyclo[3.2.0]heptane-6-carboxylic acid
IUPAC NAME: (1R,5S)-5-(2-oxopropyl)-4-oxabicyclo[3.2.0]heptane-6-carboxylic acid
SYSTEMATIC NAME: (1R,5S)-5-(2-oxidanylidenepropyl)-4-oxabicyclo[3.2.0]heptane-6-carboxylic acid
MOLECULAR FORMULA: C10H14O4
MOLECULAR WEIGHT: 198.21576
SMILES: CC(=O)C[C@@]12[C@@H](CCO1)CC2C(=O)O
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Product OPENEYE NAME: (1S,6S)-6-acetonyl-5-oxabicyclo[4.2.0]octane-7-carboxylic acid
CAS Name: (1S,6S)-6-(2-oxopropyl)-5-oxabicyclo[4.2.0]octane-7-carboxylic acid
IUPAC NAME: (1S,6S)-6-(2-oxopropyl)-5-oxabicyclo[4.2.0]octane-7-carboxylic acid
SYSTEMATIC NAME: (1S,6S)-6-(2-oxidanylidenepropyl)-5-oxabicyclo[4.2.0]octane-7-carboxylic acid
MOLECULAR FORMULA: C11H16O4
MOLECULAR WEIGHT: 212.24234
SMILES: CC(=O)C[C@@]12[C@@H](CCCO1)CC2C(=O)O
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Product OPENEYE NAME: 3-methyl-1,2-benzothiazole-5-carbonitrile
CAS Name: 3-methyl-1,2-benzothiazole-5-carbonitrile
IUPAC NAME: 3-methyl-1,2-benzothiazole-5-carbonitrile
SYSTEMATIC NAME: 3-methyl-1,2-benzothiazole-5-carbonitrile
MOLECULAR FORMULA: C9H6N2S
MOLECULAR WEIGHT: 174.22234
SMILES: CC1=NSC2=C1C=C(C=C2)C#N
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Product OPENEYE NAME: 1-(2,3-dimethyl-1,2-benzothiazol-2-ium-7-yl)ethanone
CAS Name: 1-(2,3-dimethyl-1,2-benzothiazol-2-ium-7-yl)ethanone
IUPAC NAME: 1-(2,3-dimethyl-1,2-benzothiazol-2-ium-7-yl)ethanone
SYSTEMATIC NAME: 1-(2,3-dimethyl-1,2-benzothiazol-2-ium-7-yl)ethanone
MOLECULAR FORMULA: C11H12NOS+
MOLECULAR WEIGHT: 206.28408
SMILES: CC1=[N+](SC2=C1C=CC=C2C(=O)C)C
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MOLECULAR FORMULA: C23H23NO3
MOLECULAR WEIGHT: 361.43362
SMILES: CC1=CC=C(C=C1)[C@@]23N(C[C@@H]4[C@H]5CC[C@H](C5)[C@@H]4O2)C(=O)C6=CC=CC=C6O3
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MOLECULAR FORMULA: C23H23NO3
MOLECULAR WEIGHT: 361.43362
SMILES: CC1=CC=C(C=C1)[C@]23N([C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4CO2)C(=O)C6=CC=CC=C6O3
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Product OPENEYE NAME: 2-(1,3-benzothiazol-2-yl)-5,5-dimethyl-cyclohexane-1,3-dione
CAS Name: 2-(1,3-benzothiazol-2-yl)-5,5-dimethylcyclohexane-1,3-dione
IUPAC NAME: 2-(1,3-benzothiazol-2-yl)-5,5-dimethylcyclohexane-1,3-dione
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-yl)-5,5-dimethyl-cyclohexane-1,3-dione
MOLECULAR FORMULA: C15H15NO2S
MOLECULAR WEIGHT: 273.3501
SMILES: CC1(CC(=O)C(C(=O)C1)C2=NC3=CC=CC=C3S2)C
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Product OPENEYE NAME: 5,5-dimethyl-2-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1,3-dione
CAS Name: 5,5-dimethyl-2-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1,3-dione
IUPAC NAME: 5,5-dimethyl-2-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1,3-dione
SYSTEMATIC NAME: 5,5-dimethyl-2-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1,3-dione
MOLECULAR FORMULA: C16H17NO2S
MOLECULAR WEIGHT: 287.37668
SMILES: CC1=CC2=C(C=C1)N=C(S2)C3C(=O)CC(CC3=O)(C)C
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