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MOLECULAR FORMULA: C22H25NO2
MOLECULAR WEIGHT: 335.4394
SMILES: CC(C)(C)C1=CC2=C(C=C1)O[C@]34CCCC[C@@]3(O2)NC5=CC=CC=C45
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MOLECULAR FORMULA: C26H33NO2
MOLECULAR WEIGHT: 391.54572
SMILES: CC(C)(C)C1=CC(=C2C(=C1)O[C@]34CCCC[C@@]3(O2)NC5=CC=CC=C45)C(C)(C)C
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MOLECULAR FORMULA: C26H33NO2
MOLECULAR WEIGHT: 391.54572
SMILES: CC(C)(C)C1=CC(=C2C(=C1)O[C@@]34CCCC[C@]3(O2)C5=CC=CC=C5N4)C(C)(C)C
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Product OPENEYE NAME: 2-(1,2,3,4-tetrahydrocarbazol-4a-yloxy)phenol
CAS Name: 2-(1,2,3,4-tetrahydrocarbazol-4a-yloxy)phenol
IUPAC NAME: 2-(1,2,3,4-tetrahydrocarbazol-4a-yloxy)phenol
SYSTEMATIC NAME: 2-(1,2,3,4-tetrahydrocarbazol-4a-yloxy)phenol
MOLECULAR FORMULA: C18H17NO2
MOLECULAR WEIGHT: 279.33308
SMILES: C1CCC2(C(=NC3=CC=CC=C32)C1)OC4=CC=CC=C4O
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Product OPENEYE NAME: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[(2-oxo-1,3-dithiolane-4-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-7-[[oxo-(2-oxo-1,3-dithiolan-4-yl)methyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[(2-oxo-1,3-dithiolane-4-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-7-[(2-oxidanylidene-1,3-dithiolan-4-yl)carbonylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C14H13N6O5S4-
MOLECULAR WEIGHT: 473.55022
SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C4CSC(=O)S4)SC2)C(=O)[O-]
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Product OPENEYE NAME: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-oxo-1,3-dithiolan-4-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-7-[[1-oxo-2-(2-oxo-1,3-dithiolan-4-yl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-oxo-1,3-dithiolan-4-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-7-[2-(2-oxidanylidene-1,3-dithiolan-4-yl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C15H15N6O5S4-
MOLECULAR WEIGHT: 487.5768
SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4CSC(=O)S4)SC2)C(=O)[O-]
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Product OPENEYE NAME: (4R,5S)-2-thioxo-1,3-dithiolane-4,5-dicarboxylic acid
CAS Name: (4R,5S)-2-sulfanylidene-1,3-dithiolane-4,5-dicarboxylic acid
IUPAC NAME: (4R,5S)-2-sulfanylidene-1,3-dithiolane-4,5-dicarboxylic acid
SYSTEMATIC NAME: (4R,5S)-2-sulfanylidene-1,3-dithiolane-4,5-dicarboxylic acid
MOLECULAR FORMULA: C5H4O4S3
MOLECULAR WEIGHT: 224.27786
SMILES: [C@@H]1([C@H](SC(=S)S1)C(=O)O)C(=O)O
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Product OPENEYE NAME: (4R,5S)-5-methyl-2-oxo-1,3-dithiolane-4-carboxylic acid
CAS Name: (4R,5S)-5-methyl-2-oxo-1,3-dithiolane-4-carboxylic acid
IUPAC NAME: (4R,5S)-5-methyl-2-oxo-1,3-dithiolane-4-carboxylic acid
SYSTEMATIC NAME: (4R,5S)-5-methyl-2-oxidanylidene-1,3-dithiolane-4-carboxylic acid
MOLECULAR FORMULA: C5H6O3S2
MOLECULAR WEIGHT: 178.22934
SMILES: C[C@H]1[C@H](SC(=O)S1)C(=O)O
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Product OPENEYE NAME: (4R,5R)-2-thioxo-1,3-dithiolane-4,5-dicarboxylic acid
CAS Name: (4R,5R)-2-sulfanylidene-1,3-dithiolane-4,5-dicarboxylic acid
IUPAC NAME: (4R,5R)-2-sulfanylidene-1,3-dithiolane-4,5-dicarboxylic acid
SYSTEMATIC NAME: (4R,5R)-2-sulfanylidene-1,3-dithiolane-4,5-dicarboxylic acid
MOLECULAR FORMULA: C5H4O4S3
MOLECULAR WEIGHT: 224.27786
SMILES: [C@H]1([C@H](SC(=S)S1)C(=O)O)C(=O)O
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Product OPENEYE NAME: (4R,5R)-5-methyl-2-oxo-1,3-dithiolane-4-carboxylic acid
CAS Name: (4R,5R)-5-methyl-2-oxo-1,3-dithiolane-4-carboxylic acid
IUPAC NAME: (4R,5R)-5-methyl-2-oxo-1,3-dithiolane-4-carboxylic acid
SYSTEMATIC NAME: (4R,5R)-5-methyl-2-oxidanylidene-1,3-dithiolane-4-carboxylic acid
MOLECULAR FORMULA: C5H6O3S2
MOLECULAR WEIGHT: 178.22934
SMILES: C[C@@H]1[C@H](SC(=O)S1)C(=O)O
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Product OPENEYE NAME: [6-methyl-4-(3-nitrophenyl)-2-pyridyl]methyl acetate
CAS Name: acetic acid [6-methyl-4-(3-nitrophenyl)-2-pyridinyl]methyl ester
IUPAC NAME: [6-methyl-4-(3-nitrophenyl)pyridin-2-yl]methyl acetate
SYSTEMATIC NAME: [6-methyl-4-(3-nitrophenyl)pyridin-2-yl]methyl ethanoate
MOLECULAR FORMULA: C15H14N2O4
MOLECULAR WEIGHT: 286.28266
SMILES: CC1=NC(=CC(=C1)C2=CC(=CC=C2)[N+](=O)[O-])COC(=O)C
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Product OPENEYE NAME: (Z)-6-morpholino-6-(3-pyridyl)hex-5-en-2-one
CAS Name: (Z)-6-(4-morpholinyl)-6-(3-pyridinyl)-5-hexen-2-one
IUPAC NAME: (Z)-6-morpholin-4-yl-6-pyridin-3-ylhex-5-en-2-one
SYSTEMATIC NAME: (Z)-6-morpholin-4-yl-6-pyridin-3-yl-hex-5-en-2-one
MOLECULAR FORMULA: C15H20N2O2
MOLECULAR WEIGHT: 260.3315
SMILES: CC(=O)CC/C=C(/C1=CN=CC=C1)\N2CCOCC2
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Product OPENEYE NAME: (Z)-6-(6-methyl-3-pyridyl)-6-morpholino-hex-5-en-2-one
CAS Name: (Z)-6-(6-methyl-3-pyridinyl)-6-(4-morpholinyl)-5-hexen-2-one
IUPAC NAME: (Z)-6-(6-methylpyridin-3-yl)-6-morpholin-4-ylhex-5-en-2-one
SYSTEMATIC NAME: (Z)-6-(6-methylpyridin-3-yl)-6-morpholin-4-yl-hex-5-en-2-one
MOLECULAR FORMULA: C16H22N2O2
MOLECULAR WEIGHT: 274.35808
SMILES: CC1=NC=C(C=C1)/C(=C/CCC(=O)C)/N2CCOCC2
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Product OPENEYE NAME: N-[3-(3-pyridyl)phenyl]acetamide
CAS Name: N-[3-(3-pyridinyl)phenyl]acetamide
IUPAC NAME: N-(3-pyridin-3-ylphenyl)acetamide
SYSTEMATIC NAME: N-(3-pyridin-3-ylphenyl)ethanamide
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: CC(=O)NC1=CC=CC(=C1)C2=CN=CC=C2
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Product OPENEYE NAME: N-[3-(6-methyl-3-pyridyl)phenyl]acetamide
CAS Name: N-[3-(6-methyl-3-pyridinyl)phenyl]acetamide
IUPAC NAME: N-[3-(6-methylpyridin-3-yl)phenyl]acetamide
SYSTEMATIC NAME: N-[3-(6-methylpyridin-3-yl)phenyl]ethanamide
MOLECULAR FORMULA: C14H14N2O
MOLECULAR WEIGHT: 226.27376
SMILES: CC1=NC=C(C=C1)C2=CC(=CC=C2)NC(=O)C
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Product OPENEYE NAME: 4-[1-(6-methyl-3-pyridyl)vinyl]morpholine
CAS Name: 4-[1-(6-methyl-3-pyridinyl)ethenyl]morpholine
IUPAC NAME: 4-[1-(6-methylpyridin-3-yl)ethenyl]morpholine
SYSTEMATIC NAME: 4-[1-(6-methylpyridin-3-yl)ethenyl]morpholine
MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: CC1=NC=C(C=C1)C(=C)N2CCOCC2
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Product OPENEYE NAME: diethyl 2-[[3-(2-methyl-4-pyridyl)anilino]methylene]propanedioate
CAS Name: 2-[[3-(2-methyl-4-pyridinyl)anilino]methylidene]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[[3-(2-methylpyridin-4-yl)anilino]methylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[[[3-(2-methylpyridin-4-yl)phenyl]amino]methylidene]propanedioate
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: CCOC(=O)C(=CNC1=CC=CC(=C1)C2=CC(=NC=C2)C)C(=O)OCC
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Product OPENEYE NAME: diethyl 2-[[3-(2-methoxy-6-methyl-4-pyridyl)anilino]methylene]propanedioate
CAS Name: 2-[[3-(2-methoxy-6-methyl-4-pyridinyl)anilino]methylidene]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[[3-(2-methoxy-6-methylpyridin-4-yl)anilino]methylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[[[3-(2-methoxy-6-methyl-pyridin-4-yl)phenyl]amino]methylidene]propanedioate
MOLECULAR FORMULA: C21H24N2O5
MOLECULAR WEIGHT: 384.42566
SMILES: CCOC(=O)C(=CNC1=CC=CC(=C1)C2=CC(=NC(=C2)OC)C)C(=O)OCC
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Product OPENEYE NAME: diethyl 2-[[3-(6-methyl-3-pyridyl)anilino]methylene]propanedioate
CAS Name: 2-[[3-(6-methyl-3-pyridinyl)anilino]methylidene]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[[3-(6-methylpyridin-3-yl)anilino]methylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[[[3-(6-methylpyridin-3-yl)phenyl]amino]methylidene]propanedioate
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: CCOC(=O)C(=CNC1=CC=CC(=C1)C2=CN=C(C=C2)C)C(=O)OCC
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