Product OPENEYE NAME: ethyl (2Z)-2-(1,4-benzodithiin-3-yl)-2-methoxyimino-acetate
CAS Name: (2Z)-2-(1,4-benzodithiin-3-yl)-2-methoxyiminoacetic acid ethyl ester
IUPAC NAME: ethyl (2Z)-2-(1,4-benzodithiin-3-yl)-2-methoxyiminoacetate
SYSTEMATIC NAME: ethyl (2Z)-2-(1,4-benzodithiin-3-yl)-2-methoxyimino-ethanoate
MOLECULAR FORMULA: C13H13NO3S2
MOLECULAR WEIGHT: 295.37722
SMILES: CCOC(=O)/C(=N/OC)/C1=CSC2=CC=CC=C2S1
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Product OPENEYE NAME: N-[(1S,2R)-2-acetamidocyclohexyl]acetamide
CAS Name: N-[(1S,2R)-2-acetamidocyclohexyl]acetamide
IUPAC NAME: N-[(1S,2R)-2-acetamidocyclohexyl]acetamide
SYSTEMATIC NAME: N-[(1S,2R)-2-acetamidocyclohexyl]ethanamide
MOLECULAR FORMULA: C10H18N2O2
MOLECULAR WEIGHT: 198.26212
SMILES: CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C
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Product OPENEYE NAME: trichloromethyl formate
CAS Name: formic acid trichloromethyl ester
IUPAC NAME: trichloromethyl formate
SYSTEMATIC NAME: trichloromethyl methanoate
MOLECULAR FORMULA: C2HCl3O2
MOLECULAR WEIGHT: 163.38714
SMILES: C(=O)OC(Cl)(Cl)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H21NO5
MOLECULAR WEIGHT: 355.38444
SMILES: COC1=C(C=C2C(=C1)CC3C4=C2C(=C5C(=C4CCN3)OCO5)OC)OC
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Product OPENEYE NAME: 2-chloro-6-methyl-5-(4-pyridyl)pyridine-3-carbonitrile
CAS Name: 2-chloro-6-methyl-5-pyridin-4-yl-3-pyridinecarbonitrile
IUPAC NAME: 2-chloro-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile
SYSTEMATIC NAME: 2-chloranyl-6-methyl-5-pyridin-4-yl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C12H8ClN3
MOLECULAR WEIGHT: 229.66502
SMILES: CC1=C(C=C(C(=N1)Cl)C#N)C2=CC=NC=C2
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Product OPENEYE NAME: ethyl 4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidine-2-carboxylate
CAS Name: 4-chloro-5,6-dimethyl-2-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine-2-carboxylate
SYSTEMATIC NAME: ethyl 4-chloranyl-5,6-dimethyl-thieno[2,3-d]pyrimidine-2-carboxylate
MOLECULAR FORMULA: C11H11ClN2O2S
MOLECULAR WEIGHT: 270.73524
SMILES: CCOC(=O)C1=NC2=C(C(=C(S2)C)C)C(=N1)Cl
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Product OPENEYE NAME: ethyl 4-chloro-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-carboxylate
CAS Name: 4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate
SYSTEMATIC NAME: ethyl 4-chloranyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate
MOLECULAR FORMULA: C13H13ClN2O2S
MOLECULAR WEIGHT: 296.77252
SMILES: CCOC(=O)C1=NC2=C(C3=C(S2)CCCC3)C(=N1)Cl
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Product OPENEYE NAME: (E)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-phenyl-prop-2-enamide
CAS Name: (E)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-phenyl-2-propenamide
IUPAC NAME: (E)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C21H22N2O2
MOLECULAR WEIGHT: 334.41158
SMILES: C/C(=C\C1=CC=CC=C1)/C(=O)NCCC2=CNC3=C2C=C(C=C3)OC
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Product OPENEYE NAME: methyl 5-[5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-prop-1-ynyl]-1-methylsulfonyloxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-5-oxo-pentanoate
CAS Name: 5-[5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]-1-methylsulfonyloxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-5-oxopentanoic acid methyl ester
IUPAC NAME: methyl 5-[5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]-1-methylsulfonyloxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-5-oxopentanoate
SYSTEMATIC NAME: methyl 5-[5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-prop-1-ynyl]-1-methylsulfonyloxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C36H64O8SSi2
MOLECULAR WEIGHT: 713.12456
SMILES: CC(C)(C)[Si](C)(C)OC1CC2C(C1C#CC(C3CCCCC3)O[Si](C)(C)C(C)(C)C)CC(C2OS(=O)(=O)C)C(=O)CCCC(=O)OC
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Product OPENEYE NAME: methyl 5-[5-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-prop-1-ynyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-5-oxo-pentanoate
CAS Name: 5-[5-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-5-oxopentanoic acid methyl ester
IUPAC NAME: methyl 5-[5-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-ynyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-5-oxopentanoate
SYSTEMATIC NAME: methyl 5-[5-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-prop-1-ynyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C35H60O5Si2
MOLECULAR WEIGHT: 617.0189
SMILES: CC(C)(C)[Si](C)(C)OC1CC2C=C(CC2C1C#CC(C3CCCCC3)O[Si](C)(C)C(C)(C)C)C(=O)CCCC(=O)OC
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Product OPENEYE NAME: methyl 5-[6-(3-cyclohexyl-3-hydroxy-prop-1-ynyl)-5-hydroxy-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-5-oxo-pentanoate
CAS Name: 5-[6-(3-cyclohexyl-3-hydroxyprop-1-ynyl)-5-hydroxy-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-5-oxopentanoic acid methyl ester
IUPAC NAME: methyl 5-[6-(3-cyclohexyl-3-hydroxyprop-1-ynyl)-5-hydroxy-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-5-oxopentanoate
SYSTEMATIC NAME: methyl 5-[6-(3-cyclohexyl-3-oxidanyl-prop-1-ynyl)-5-oxidanyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C23H32O5
MOLECULAR WEIGHT: 388.49718
SMILES: COC(=O)CCCC(=O)C1=CC2CC(C(C2C1)C#CC(C3CCCCC3)O)O
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Product OPENEYE NAME: 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]chromen-4-one
CAS Name: 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
IUPAC NAME: 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
SYSTEMATIC NAME: 3,7-bis[[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-2-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
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Product OPENEYE NAME: 3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CAS Name: 3-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
IUPAC NAME: 3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[6-(hydroxymethyl)-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O
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Product OPENEYE NAME: methyl 3-(2-aminoethylamino)propanoate
CAS Name: 3-(2-aminoethylamino)propanoic acid methyl ester
IUPAC NAME: methyl 3-(2-aminoethylamino)propanoate
SYSTEMATIC NAME: methyl 3-(2-azanylethylamino)propanoate
MOLECULAR FORMULA: C6H14N2O2
MOLECULAR WEIGHT: 146.18756
SMILES: COC(=O)CCNCCN
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Product OPENEYE NAME: ethyl 3-(2-aminoethylamino)propanoate
CAS Name: 3-(2-aminoethylamino)propanoic acid ethyl ester
IUPAC NAME: ethyl 3-(2-aminoethylamino)propanoate
SYSTEMATIC NAME: ethyl 3-(2-azanylethylamino)propanoate
MOLECULAR FORMULA: C7H16N2O2
MOLECULAR WEIGHT: 160.21414
SMILES: CCOC(=O)CCNCCN
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Product OPENEYE NAME: 6,13-dimethyl-1,4,8,11-tetrazacyclotetradecane-5,12-dione
CAS Name: 6,13-dimethyl-1,4,8,11-tetrazacyclotetradecane-5,12-dione
IUPAC NAME: 6,13-dimethyl-1,4,8,11-tetrazacyclotetradecane-5,12-dione
SYSTEMATIC NAME: 6,13-dimethyl-1,4,8,11-tetrazacyclotetradecane-5,12-dione
MOLECULAR FORMULA: C12H24N4O2
MOLECULAR WEIGHT: 256.34456
SMILES: CC1CNCCNC(=O)C(CNCCNC1=O)C
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Product OPENEYE NAME: 2,2-dichloro-1-(4-isobutylphenyl)propan-1-one
CAS Name: 2,2-dichloro-1-[4-(2-methylpropyl)phenyl]-1-propanone
IUPAC NAME: 2,2-dichloro-1-[4-(2-methylpropyl)phenyl]propan-1-one
SYSTEMATIC NAME: 2,2-bis(chloranyl)-1-[4-(2-methylpropyl)phenyl]propan-1-one
MOLECULAR FORMULA: C13H16Cl2O
MOLECULAR WEIGHT: 259.17154
SMILES: CC(C)CC1=CC=C(C=C1)C(=O)C(C)(Cl)Cl
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Product OPENEYE NAME: 2,2-dichloro-1-(4-isobutylphenyl)ethanone
CAS Name: 2,2-dichloro-1-[4-(2-methylpropyl)phenyl]ethanone
IUPAC NAME: 2,2-dichloro-1-[4-(2-methylpropyl)phenyl]ethanone
SYSTEMATIC NAME: 2,2-bis(chloranyl)-1-[4-(2-methylpropyl)phenyl]ethanone
MOLECULAR FORMULA: C12H14Cl2O
MOLECULAR WEIGHT: 245.14496
SMILES: CC(C)CC1=CC=C(C=C1)C(=O)C(Cl)Cl
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Product OPENEYE NAME: 2,2-dichloro-1-(4-isobutylphenyl)butan-1-one
CAS Name: 2,2-dichloro-1-[4-(2-methylpropyl)phenyl]-1-butanone
IUPAC NAME: 2,2-dichloro-1-[4-(2-methylpropyl)phenyl]butan-1-one
SYSTEMATIC NAME: 2,2-bis(chloranyl)-1-[4-(2-methylpropyl)phenyl]butan-1-one
MOLECULAR FORMULA: C14H18Cl2O
MOLECULAR WEIGHT: 273.19812
SMILES: CCC(C(=O)C1=CC=C(C=C1)CC(C)C)(Cl)Cl
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Product OPENEYE NAME: 2,2-dibromo-1-(4-isobutylphenyl)ethanone
CAS Name: 2,2-dibromo-1-[4-(2-methylpropyl)phenyl]ethanone
IUPAC NAME: 2,2-dibromo-1-[4-(2-methylpropyl)phenyl]ethanone
SYSTEMATIC NAME: 2,2-bis(bromanyl)-1-[4-(2-methylpropyl)phenyl]ethanone
MOLECULAR FORMULA: C12H14Br2O
MOLECULAR WEIGHT: 334.04696
SMILES: CC(C)CC1=CC=C(C=C1)C(=O)C(Br)Br
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