Product OPENEYE NAME: [2-(2-furyl)-2-hydroxy-ethyl] 2,2-dimethylpropanoate
CAS Name: 2,2-dimethylpropanoic acid [2-(2-furanyl)-2-hydroxyethyl] ester
IUPAC NAME: [2-(furan-2-yl)-2-hydroxyethyl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [2-(furan-2-yl)-2-oxidanyl-ethyl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C11H16O4
MOLECULAR WEIGHT: 212.24234
SMILES: CC(C)(C)C(=O)OCC(C1=CC=CO1)O
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Product OPENEYE NAME: [(2R,3R,6R)-3-azido-6-methyl-5-oxo-tetrahydropyran-2-yl] acetate
CAS Name: acetic acid [(2R,3R,6R)-3-azido-6-methyl-5-oxo-2-oxanyl] ester
IUPAC NAME: [(2R,3R,6R)-3-azido-6-methyl-5-oxooxan-2-yl] acetate
SYSTEMATIC NAME: [(2R,3R,6R)-3-azido-6-methyl-5-oxidanylidene-oxan-2-yl] ethanoate
MOLECULAR FORMULA: C8H11N3O4
MOLECULAR WEIGHT: 213.19064
SMILES: C[C@@H]1C(=O)C[C@H]([C@H](O1)OC(=O)C)N=[N+]=[N-]
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Product OPENEYE NAME: [(2R,3S,6R)-3-azido-6-methyl-5-oxo-tetrahydropyran-2-yl] acetate
CAS Name: acetic acid [(2R,3S,6R)-3-azido-6-methyl-5-oxo-2-oxanyl] ester
IUPAC NAME: [(2R,3S,6R)-3-azido-6-methyl-5-oxooxan-2-yl] acetate
SYSTEMATIC NAME: [(2R,3S,6R)-3-azido-6-methyl-5-oxidanylidene-oxan-2-yl] ethanoate
MOLECULAR FORMULA: C8H11N3O4
MOLECULAR WEIGHT: 213.19064
SMILES: C[C@@H]1C(=O)C[C@@H]([C@H](O1)OC(=O)C)N=[N+]=[N-]
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Product OPENEYE NAME: [(2R,3R,5S,6R)-3-azido-5-hydroxy-6-methyl-tetrahydropyran-2-yl] acetate
CAS Name: acetic acid [(2R,3R,5S,6R)-3-azido-5-hydroxy-6-methyl-2-oxanyl] ester
IUPAC NAME: [(2R,3R,5S,6R)-3-azido-5-hydroxy-6-methyloxan-2-yl] acetate
SYSTEMATIC NAME: [(2R,3R,5S,6R)-3-azido-6-methyl-5-oxidanyl-oxan-2-yl] ethanoate
MOLECULAR FORMULA: C8H13N3O4
MOLECULAR WEIGHT: 215.20652
SMILES: C[C@@H]1[C@H](C[C@H]([C@H](O1)OC(=O)C)N=[N+]=[N-])O
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Product OPENEYE NAME: 8,9-dichloro-2-methyl-6,11-dihydroquinolino[3,2-c][1,5]benzodiazepin-12-one
CAS Name: 8,9-dichloro-2-methyl-6,11-dihydroquinolino[3,2-c][1,5]benzodiazepin-12-one
IUPAC NAME: 8,9-dichloro-2-methyl-6,11-dihydroquinolino[3,2-c][1,5]benzodiazepin-12-one
SYSTEMATIC NAME: 8,9-bis(chloranyl)-2-methyl-6,11-dihydroquinolino[3,2-c][1,5]benzodiazepin-12-one
MOLECULAR FORMULA: C17H11Cl2N3O
MOLECULAR WEIGHT: 344.19474
SMILES: CC1=CC2=CC3=C(NC4=CC(=C(C=C4NC3=O)Cl)Cl)N=C2C=C1
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Product OPENEYE NAME: 3-[(E)-2-(2,4-dichlorophenyl)vinyl]-5-methylsulfanyl-isoxazole
CAS Name: 3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-(methylthio)isoxazole
IUPAC NAME: 3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylsulfanyl-1,2-oxazole
SYSTEMATIC NAME: 3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylsulfanyl-1,2-oxazole
MOLECULAR FORMULA: C12H9Cl2NOS
MOLECULAR WEIGHT: 286.17696
SMILES: CSC1=CC(=NO1)/C=C/C2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 1-[3-methylsulfanyl-5-[(E)-styryl]pyrazol-1-yl]ethanone
CAS Name: 1-[3-(methylthio)-5-[(E)-2-phenylethenyl]-1-pyrazolyl]ethanone
IUPAC NAME: 1-[3-methylsulfanyl-5-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone
SYSTEMATIC NAME: 1-[3-methylsulfanyl-5-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone
MOLECULAR FORMULA: C14H14N2OS
MOLECULAR WEIGHT: 258.33876
SMILES: CC(=O)N1C(=CC(=N1)SC)/C=C/C2=CC=CC=C2
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Product OPENEYE NAME: 1-[5-[(E)-2-(4-methoxyphenyl)vinyl]-3-methylsulfanyl-pyrazol-1-yl]ethanone
CAS Name: 1-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(methylthio)-1-pyrazolyl]ethanone
IUPAC NAME: 1-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylsulfanylpyrazol-1-yl]ethanone
SYSTEMATIC NAME: 1-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylsulfanyl-pyrazol-1-yl]ethanone
MOLECULAR FORMULA: C15H16N2O2S
MOLECULAR WEIGHT: 288.36474
SMILES: CC(=O)N1C(=CC(=N1)SC)/C=C/C2=CC=C(C=C2)OC
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Product OPENEYE NAME: 5-amino-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazole-4-carbonitrile
CAS Name: 5-amino-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-triazolecarbonitrile
IUPAC NAME: 5-amino-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazole-4-carbonitrile
SYSTEMATIC NAME: 5-azanyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,2,3-triazole-4-carbonitrile
MOLECULAR FORMULA: C9H13N5O2
MOLECULAR WEIGHT: 223.23182
SMILES: CC1(OCC(O1)CN2C(=C(N=N2)C#N)N)C
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Product OPENEYE NAME: 5-amino-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazole-4-carboxamide
CAS Name: 5-amino-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-triazolecarboxamide
IUPAC NAME: 5-amino-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazole-4-carboxamide
SYSTEMATIC NAME: 5-azanyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C9H15N5O3
MOLECULAR WEIGHT: 241.2471
SMILES: CC1(OCC(O1)CN2C(=C(N=N2)C(=O)N)N)C
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Product OPENEYE NAME: (4R,8S)-6-(4-chlorophenyl)-4,8-dimethyl-1,3,6-dioxazocane
CAS Name: (4R,8S)-6-(4-chlorophenyl)-4,8-dimethyl-1,3,6-dioxazocane
IUPAC NAME: (4R,8S)-6-(4-chlorophenyl)-4,8-dimethyl-1,3,6-dioxazocane
SYSTEMATIC NAME: (4R,8S)-6-(4-chlorophenyl)-4,8-dimethyl-1,3,6-dioxazocane
MOLECULAR FORMULA: C13H18ClNO2
MOLECULAR WEIGHT: 255.74052
SMILES: C[C@@H]1CN(C[C@@H](OCO1)C)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (4R,8R)-6-(4-chlorophenyl)-4,8-dimethyl-1,3,6-dioxazocane
CAS Name: (4R,8R)-6-(4-chlorophenyl)-4,8-dimethyl-1,3,6-dioxazocane
IUPAC NAME: (4R,8R)-6-(4-chlorophenyl)-4,8-dimethyl-1,3,6-dioxazocane
SYSTEMATIC NAME: (4R,8R)-6-(4-chlorophenyl)-4,8-dimethyl-1,3,6-dioxazocane
MOLECULAR FORMULA: C13H18ClNO2
MOLECULAR WEIGHT: 255.74052
SMILES: C[C@@H]1CN(C[C@H](OCO1)C)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (4R,7R)-2,2,4,7-tetramethyl-6-phenyl-1,3,6-dioxazocane
CAS Name: (4R,7R)-2,2,4,7-tetramethyl-6-phenyl-1,3,6-dioxazocane
IUPAC NAME: (4R,7R)-2,2,4,7-tetramethyl-6-phenyl-1,3,6-dioxazocane
SYSTEMATIC NAME: (4R,7R)-2,2,4,7-tetramethyl-6-phenyl-1,3,6-dioxazocane
MOLECULAR FORMULA: C15H23NO2
MOLECULAR WEIGHT: 249.34862
SMILES: C[C@@H]1CN([C@@H](COC(O1)(C)C)C)C2=CC=CC=C2
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Product OPENEYE NAME: (4R,7S)-2,2,4,7-tetramethyl-6-phenyl-1,3,6-dioxazocane
CAS Name: (4R,7S)-2,2,4,7-tetramethyl-6-phenyl-1,3,6-dioxazocane
IUPAC NAME: (4R,7S)-2,2,4,7-tetramethyl-6-phenyl-1,3,6-dioxazocane
SYSTEMATIC NAME: (4R,7S)-2,2,4,7-tetramethyl-6-phenyl-1,3,6-dioxazocane
MOLECULAR FORMULA: C15H23NO2
MOLECULAR WEIGHT: 249.34862
SMILES: C[C@@H]1CN([C@H](COC(O1)(C)C)C)C2=CC=CC=C2
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Product OPENEYE NAME: 2,2,4,8-tetramethyl-6-phenyl-1,3,6-dioxazocane
CAS Name: 2,2,4,8-tetramethyl-6-phenyl-1,3,6-dioxazocane
IUPAC NAME: 2,2,4,8-tetramethyl-6-phenyl-1,3,6-dioxazocane
SYSTEMATIC NAME: 2,2,4,8-tetramethyl-6-phenyl-1,3,6-dioxazocane
MOLECULAR FORMULA: C15H23NO2
MOLECULAR WEIGHT: 249.34862
SMILES: CC1CN(CC(OC(O1)(C)C)C)C2=CC=CC=C2
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Product OPENEYE NAME: 6-(4-chlorophenyl)-4,4,8-trimethyl-1,3,6-dioxazocane
CAS Name: 6-(4-chlorophenyl)-4,4,8-trimethyl-1,3,6-dioxazocane
IUPAC NAME: 6-(4-chlorophenyl)-4,4,8-trimethyl-1,3,6-dioxazocane
SYSTEMATIC NAME: 6-(4-chlorophenyl)-4,4,8-trimethyl-1,3,6-dioxazocane
MOLECULAR FORMULA: C14H20ClNO2
MOLECULAR WEIGHT: 269.7671
SMILES: CC1CN(CC(OCO1)(C)C)C2=CC=C(C=C2)Cl
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MOLECULAR FORMULA: C10H9N3O6
MOLECULAR WEIGHT: 267.19496
SMILES: C1CCOC2=C(C(=CC3=NO[N+](=C32)[O-])[N+](=O)[O-])OC1
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MOLECULAR FORMULA: C12H13N3O5
MOLECULAR WEIGHT: 279.24872
SMILES: CC(=O)N=C1C=C2C(=C3C1=NON3O)OCCCCO2
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MOLECULAR FORMULA: C12H13N3O5
MOLECULAR WEIGHT: 279.24872
SMILES: CC(=O)N=C1C=C2C(=NON2O)C3=C1OCCCCO3
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Product OPENEYE NAME: 1-[5-bromo-7-(2-methyl-1,3-dioxolan-2-yl)benzofuran-2-yl]-2-(tert-butylamino)ethanol
CAS Name: 1-[5-bromo-7-(2-methyl-1,3-dioxolan-2-yl)-2-benzofuranyl]-2-(tert-butylamino)ethanol
IUPAC NAME: 1-[5-bromo-7-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran-2-yl]-2-(tert-butylamino)ethanol
SYSTEMATIC NAME: 1-[5-bromanyl-7-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran-2-yl]-2-(tert-butylamino)ethanol
MOLECULAR FORMULA: C18H24BrNO4
MOLECULAR WEIGHT: 398.29146
SMILES: CC1(OCCO1)C2=C3C(=CC(=C2)Br)C=C(O3)C(CNC(C)(C)C)O
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Product OPENEYE NAME: 1-phenyl-3-[[(Z)-[2-(p-tolyl)indol-3-ylidene]methyl]amino]thiourea
CAS Name: 1-[[(Z)-[2-(4-methylphenyl)-3-indolylidene]methyl]amino]-3-phenylthiourea
IUPAC NAME: 1-[[(Z)-[2-(4-methylphenyl)indol-3-ylidene]methyl]amino]-3-phenylthiourea
SYSTEMATIC NAME: 1-[[(Z)-[2-(4-methylphenyl)indol-3-ylidene]methyl]amino]-3-phenyl-thiourea
MOLECULAR FORMULA: C23H20N4S
MOLECULAR WEIGHT: 384.4967
SMILES: CC1=CC=C(C=C1)C\2=NC3=CC=CC=C3/C2=C/NNC(=S)NC4=CC=CC=C4
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Product OPENEYE NAME: (2Z)-2-[[(Z)-[2-(4-chlorophenyl)indol-3-ylidene]methyl]hydrazono]-3-phenyl-thiazolidin-4-one
CAS Name: (2Z)-2-[[(Z)-[2-(4-chlorophenyl)-3-indolylidene]methyl]hydrazinylidene]-3-phenyl-4-thiazolidinone
IUPAC NAME: (2Z)-2-[[(Z)-[2-(4-chlorophenyl)indol-3-ylidene]methyl]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (2Z)-2-[[(Z)-[2-(4-chlorophenyl)indol-3-ylidene]methyl]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C24H17ClN4OS
MOLECULAR WEIGHT: 444.93598
SMILES: C1C(=O)N(/C(=N/N/C=C\2/C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl)/S1)C5=CC=CC=C5
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Product OPENEYE NAME: 2-[2-[(Z)-[2-(p-tolyl)indol-3-ylidene]methyl]hydrazino]thiazol-4-one
CAS Name: 2-[[(Z)-[2-(4-methylphenyl)-3-indolylidene]methyl]hydrazo]-4-thiazolone
IUPAC NAME: 2-[2-[(Z)-[2-(4-methylphenyl)indol-3-ylidene]methyl]hydrazinyl]-1,3-thiazol-4-one
SYSTEMATIC NAME: 2-[2-[(Z)-[2-(4-methylphenyl)indol-3-ylidene]methyl]hydrazinyl]-1,3-thiazol-4-one
MOLECULAR FORMULA: C19H16N4OS
MOLECULAR WEIGHT: 348.42154
SMILES: CC1=CC=C(C=C1)C\2=NC3=CC=CC=C3/C2=C/NNC4=NC(=O)CS4
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