Product OPENEYE NAME: 1-(3-chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one oxime
CAS Name: 1-(3-chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one oxime
IUPAC NAME: (NZ)-N-[1-(3-chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[1-(3-chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-ylidene]hydroxylamine
MOLECULAR FORMULA: C17H19ClN2O
MOLECULAR WEIGHT: 302.79856
SMILES: CC1=CC\2=C(N1C3=CC(=CC=C3)Cl)CC(C/C2=N/O)(C)C
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MOLECULAR FORMULA: C92H74N8O4
MOLECULAR WEIGHT: 1355.62316
SMILES: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC=CC4=C3C5=NC6=NC(=NC7=C8C=CC=C(C8=C(N7)N=C9C1=C(C(=CC=C1)OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)C(=N9)N=C4N5)OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)C1=C6C=CC=C1OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1
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MOLECULAR FORMULA: C80H60N12O8-2
MOLECULAR WEIGHT: 1317.408
SMILES: CC(C)(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC4=C(C=C3)C5=NC6=NC(=NC7=C8C=C(C=CC8=C([N-]7)N=C9C1=C(C=CC(=C1)C(C)(C)CN1C(=O)C2=CC=CC=C2C1=O)C(=N9)N=C4[N-]5)C(C)(C)CN1C(=O)C2=CC=CC=C2C1=O)C1=C6C=C(C=C1)C(C)(C)CN1C(=O)C2=CC=CC=C2C1=O
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MOLECULAR FORMULA: C80H62N12O8
MOLECULAR WEIGHT: 1319.42388
SMILES: CC(C)(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC4=C(C=C3)C5=NC6=NC(=NC7=C8C=C(C=CC8=C(N7)N=C9C1=C(C=CC(=C1)C(C)(C)CN1C(=O)C2=CC=CC=C2C1=O)C(=N9)N=C4N5)C(C)(C)CN1C(=O)C2=CC=CC=C2C1=O)C1=C6C=C(C=C1)C(C)(C)CN1C(=O)C2=CC=CC=C2C1=O
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MOLECULAR FORMULA: C48H52N12-2
MOLECULAR WEIGHT: 797.00688
SMILES: CC(C)(CN)C1=CC2=C(C=C1)C3=NC4=C5C=C(C=CC5=C([N-]4)N=C6C7=C(C=CC(=C7)C(C)(C)CN)C(=N6)N=C8C9=C(C=CC(=C9)C(C)(C)CN)C(=N8)N=C2[N-]3)C(C)(C)CN
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MOLECULAR FORMULA: C48H54N12
MOLECULAR WEIGHT: 799.02276
SMILES: CC(C)(CN)C1=CC2=C(C=C1)C3=NC4=C5C=C(C=CC5=C(N4)N=C6C7=C(C=CC(=C7)C(C)(C)CN)C(=N6)N=C8C9=C(C=CC(=C9)C(C)(C)CN)C(=N8)N=C2N3)C(C)(C)CN
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Product OPENEYE NAME: (3E)-3-[[2-(4-chlorophenyl)hydrazino]methylene]quinoxalin-2-one
CAS Name: (3E)-3-[[(4-chlorophenyl)hydrazo]methylidene]-2-quinoxalinone
IUPAC NAME: (3E)-3-[[2-(4-chlorophenyl)hydrazinyl]methylidene]quinoxalin-2-one
SYSTEMATIC NAME: (3E)-3-[[2-(4-chlorophenyl)hydrazinyl]methylidene]quinoxalin-2-one
MOLECULAR FORMULA: C15H11ClN4O
MOLECULAR WEIGHT: 298.72704
SMILES: C1=CC2=N/C(=C/NNC3=CC=C(C=C3)Cl)/C(=O)N=C2C=C1
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Product OPENEYE NAME: 3,4-dimethyl-5-phenyl-isothiazole
CAS Name: 3,4-dimethyl-5-phenylisothiazole
IUPAC NAME: 3,4-dimethyl-5-phenyl-1,2-thiazole
SYSTEMATIC NAME: 3,4-dimethyl-5-phenyl-1,2-thiazole
MOLECULAR FORMULA: C11H11NS
MOLECULAR WEIGHT: 189.27674
SMILES: CC1=C(SN=C1C)C2=CC=CC=C2
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Product OPENEYE NAME: (2R,6S)-6-[4-(benzenesulfonyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one
CAS Name: (2R,6S)-6-[4-(benzenesulfonyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one
IUPAC NAME: (2R,6S)-6-[4-(benzenesulfonyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one
SYSTEMATIC NAME: (2R,6S)-6-methyl-2-oxidanyl-6-[4-(phenylsulfonyl)phenyl]-2H-pyran-5-one
MOLECULAR FORMULA: C18H16O5S
MOLECULAR WEIGHT: 344.38164
SMILES: C[C@@]1(C(=O)C=C[C@@H](O1)O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2R,6S)-2-hydroxy-6-methyl-6-(4-phenylsulfanylphenyl)-2H-pyran-5-one
CAS Name: (2R,6S)-2-hydroxy-6-methyl-6-[4-(phenylthio)phenyl]-2H-pyran-5-one
IUPAC NAME: (2R,6S)-2-hydroxy-6-methyl-6-(4-phenylsulfanylphenyl)-2H-pyran-5-one
SYSTEMATIC NAME: (2R,6S)-6-methyl-2-oxidanyl-6-(4-phenylsulfanylphenyl)-2H-pyran-5-one
MOLECULAR FORMULA: C18H16O3S
MOLECULAR WEIGHT: 312.38284
SMILES: C[C@@]1(C(=O)C=C[C@@H](O1)O)C2=CC=C(C=C2)SC3=CC=CC=C3
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Product OPENEYE NAME: (2R,6S)-6-[4-(benzenesulfinyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one
CAS Name: (2R,6S)-6-[4-(benzenesulfinyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one
IUPAC NAME: (2R,6S)-6-[4-(benzenesulfinyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one
SYSTEMATIC NAME: (2R,6S)-6-methyl-2-oxidanyl-6-[4-(phenylsulfinyl)phenyl]-2H-pyran-5-one
MOLECULAR FORMULA: C18H16O4S
MOLECULAR WEIGHT: 328.38224
SMILES: C[C@@]1(C(=O)C=C[C@@H](O1)O)C2=CC=C(C=C2)S(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [(2S,6S)-6-(4-methoxyphenyl)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate
CAS Name: N-methylcarbamic acid [(2S,6S)-6-(4-methoxyphenyl)-6-methyl-5-oxo-2H-pyran-2-yl] ester
IUPAC NAME: [(2S,6S)-6-(4-methoxyphenyl)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate
SYSTEMATIC NAME: [(2S,6S)-6-(4-methoxyphenyl)-6-methyl-5-oxidanylidene-2H-pyran-2-yl] N-methylcarbamate
MOLECULAR FORMULA: C15H17NO5
MOLECULAR WEIGHT: 291.29918
SMILES: C[C@@]1(C(=O)C=C[C@@H](O1)OC(=O)NC)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: 1,2-bis(3,4-dihydro-2H-pyran-5-yl)ethane-1,2-dione
CAS Name: 1,2-bis(3,4-dihydro-2H-pyran-5-yl)ethane-1,2-dione
IUPAC NAME: 1,2-bis(3,4-dihydro-2H-pyran-5-yl)ethane-1,2-dione
SYSTEMATIC NAME: 1,2-bis(3,4-dihydro-2H-pyran-5-yl)ethane-1,2-dione
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: C1CC(=COC1)C(=O)C(=O)C2=COCCC2
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Product OPENEYE NAME: 2,5-dideuterio-N,N-dimethyl-imidazole-1-sulfonamide
CAS Name: 2,5-dideuterio-N,N-dimethyl-1-imidazolesulfonamide
IUPAC NAME: 2,5-dideuterio-N,N-dimethylimidazole-1-sulfonamide
SYSTEMATIC NAME: 2,5-dideuterio-N,N-dimethyl-imidazole-1-sulfonamide
MOLECULAR FORMULA: C5H9N3O2S
MOLECULAR WEIGHT: 177.221184
SMILES: [2H]C1=CN=C(N1S(=O)(=O)N(C)C)[2H]
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MOLECULAR FORMULA: C69H106O39S2
MOLECULAR WEIGHT: 1623.68654
SMILES: CO[C@H]1[C@H]2[C@H]3COS(=O)(=O)C4=CC=C(CC5=CC=C(C=C5)S(=O)(=O)OC[C@@H]6[C@H]([C@@H]([C@H]([C@H](O6)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7OC)OC)CO)OC)OC)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]2[C@@H]([C@H]([C@
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Product OPENEYE NAME: 1-[(3aR,4R,6S,6aR)-6-(chloromethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]thieno[3,2-d]pyrimidine-2,4-dione
CAS Name: 1-[(3aR,4R,6S,6aR)-6-(chloromethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]thieno[3,2-d]pyrimidine-2,4-dione
IUPAC NAME: 1-[(3aR,4R,6S,6aR)-6-(chloromethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]thieno[3,2-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(3aR,4R,6S,6aR)-6-(chloromethyl)-2-oxidanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-4-yl]thieno[3,2-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H9ClN2O6S2
MOLECULAR WEIGHT: 364.78196
SMILES: C1=CSC2=C1N(C(=O)NC2=O)[C@H]3[C@H]4[C@@H]([C@H](O3)CCl)OS(=O)O4
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