Product OPENEYE NAME: ethyl (2S,3S)-5-chloro-3-hydroxy-3-methyl-2H-benzofuran-2-carboxylate
CAS Name: (2S,3S)-5-chloro-3-hydroxy-3-methyl-2H-benzofuran-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (2S,3S)-5-chloro-3-hydroxy-3-methyl-2H-1-benzofuran-2-carboxylate
SYSTEMATIC NAME: ethyl (2S,3S)-5-chloranyl-3-methyl-3-oxidanyl-2H-1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C12H13ClO4
MOLECULAR WEIGHT: 256.68222
SMILES: CCOC(=O)[C@@H]1[C@@](C2=C(O1)C=CC(=C2)Cl)(C)O
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Product OPENEYE NAME: ethyl (2S,3S)-6-chloro-3-hydroxy-3-methyl-2H-benzofuran-2-carboxylate
CAS Name: (2S,3S)-6-chloro-3-hydroxy-3-methyl-2H-benzofuran-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (2S,3S)-6-chloro-3-hydroxy-3-methyl-2H-1-benzofuran-2-carboxylate
SYSTEMATIC NAME: ethyl (2S,3S)-6-chloranyl-3-methyl-3-oxidanyl-2H-1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C12H13ClO4
MOLECULAR WEIGHT: 256.68222
SMILES: CCOC(=O)[C@@H]1[C@@](C2=C(O1)C=C(C=C2)Cl)(C)O
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Product OPENEYE NAME: ethyl (2S,3S)-3-hydroxy-3-methyl-6-nitro-2H-benzofuran-2-carboxylate
CAS Name: (2S,3S)-3-hydroxy-3-methyl-6-nitro-2H-benzofuran-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (2S,3S)-3-hydroxy-3-methyl-6-nitro-2H-1-benzofuran-2-carboxylate
SYSTEMATIC NAME: ethyl (2S,3S)-3-methyl-6-nitro-3-oxidanyl-2H-1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C12H13NO6
MOLECULAR WEIGHT: 267.23472
SMILES: CCOC(=O)[C@@H]1[C@@](C2=C(O1)C=C(C=C2)[N+](=O)[O-])(C)O
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Product OPENEYE NAME: ethyl (2S,3S)-3-hydroxy-3-methyl-5-nitro-2H-benzofuran-2-carboxylate
CAS Name: (2S,3S)-3-hydroxy-3-methyl-5-nitro-2H-benzofuran-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl (2S,3S)-3-hydroxy-3-methyl-5-nitro-2H-1-benzofuran-2-carboxylate
SYSTEMATIC NAME: ethyl (2S,3S)-3-methyl-5-nitro-3-oxidanyl-2H-1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C12H13NO6
MOLECULAR WEIGHT: 267.23472
SMILES: CCOC(=O)[C@@H]1[C@@](C2=C(O1)C=CC(=C2)[N+](=O)[O-])(C)O
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Product OPENEYE NAME: 2-benzamido-2-[2-[(1S)-1-benzyl-2-bromo-ethoxy]-5-methoxycarbonyl-phenyl]acetic acid
CAS Name: 2-benzamido-2-[2-[(2S)-1-bromo-3-phenylpropan-2-yl]oxy-5-methoxycarbonylphenyl]acetic acid
IUPAC NAME: 2-benzamido-2-[2-[(2S)-1-bromo-3-phenylpropan-2-yl]oxy-5-methoxycarbonylphenyl]acetic acid
SYSTEMATIC NAME: 2-benzamido-2-[2-[(2S)-1-bromanyl-3-phenyl-propan-2-yl]oxy-5-methoxycarbonyl-phenyl]ethanoic acid
MOLECULAR FORMULA: C26H24BrNO6
MOLECULAR WEIGHT: 526.37586
SMILES: COC(=O)C1=CC(=C(C=C1)O[C@@H](CC2=CC=CC=C2)CBr)C(C(=O)O)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: methyl (2S)-2-benzyl-5'-oxo-2'-phenyl-spiro[chromane-4,4'-oxazole]-6-carboxylate
CAS Name: (2S)-5'-oxo-2'-phenyl-2-(phenylmethyl)-6-spiro[3,4-dihydro-2H-1-benzopyran-4,4'-oxazole]carboxylic acid methyl ester
IUPAC NAME: methyl (2'S)-2'-benzyl-5-oxo-2-phenylspiro[1,3-oxazole-4,4'-2,3-dihydrochromene]-6'-carboxylate
SYSTEMATIC NAME: methyl (2'S)-5-oxidanylidene-2-phenyl-2'-(phenylmethyl)spiro[1,3-oxazole-4,4'-2,3-dihydrochromene]-6'-carboxylate
MOLECULAR FORMULA: C26H21NO5
MOLECULAR WEIGHT: 427.44864
SMILES: COC(=O)C1=CC2=C(C=C1)O[C@H](CC23C(=O)OC(=N3)C4=CC=CC=C4)CC5=CC=CC=C5
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Product OPENEYE NAME: methyl (2S)-4-benzamido-2-benzyl-2H-chromene-6-carboxylate
CAS Name: (2S)-4-benzamido-2-(phenylmethyl)-2H-1-benzopyran-6-carboxylic acid methyl ester
IUPAC NAME: methyl (2S)-4-benzamido-2-benzyl-2H-chromene-6-carboxylate
SYSTEMATIC NAME: methyl (2S)-4-benzamido-2-(phenylmethyl)-2H-chromene-6-carboxylate
MOLECULAR FORMULA: C25H21NO4
MOLECULAR WEIGHT: 399.43854
SMILES: COC(=O)C1=CC2=C(C=C1)O[C@H](C=C2NC(=O)C3=CC=CC=C3)CC4=CC=CC=C4
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Product OPENEYE NAME: methyl (2S)-2-benzyl-3-chloro-4-oxo-chromane-6-carboxylate
CAS Name: (2S)-3-chloro-4-oxo-2-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester
IUPAC NAME: methyl (2S)-2-benzyl-3-chloro-4-oxo-2,3-dihydrochromene-6-carboxylate
SYSTEMATIC NAME: methyl (2S)-3-chloranyl-4-oxidanylidene-2-(phenylmethyl)-2,3-dihydrochromene-6-carboxylate
MOLECULAR FORMULA: C18H15ClO4
MOLECULAR WEIGHT: 330.7623
SMILES: COC(=O)C1=CC2=C(C=C1)O[C@H](C(C2=O)Cl)CC3=CC=CC=C3
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Product OPENEYE NAME: 1-(5-phenylisoxazol-3-yl)-2-[(5-phenylisoxazol-3-yl)methyl]pentan-2-ol
CAS Name: 1-(5-phenyl-3-isoxazolyl)-2-[(5-phenyl-3-isoxazolyl)methyl]-2-pentanol
IUPAC NAME: 1-(5-phenyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]pentan-2-ol
SYSTEMATIC NAME: 1-(5-phenyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]pentan-2-ol
MOLECULAR FORMULA: C24H24N2O3
MOLECULAR WEIGHT: 388.45896
SMILES: CCCC(CC1=NOC(=C1)C2=CC=CC=C2)(CC3=NOC(=C3)C4=CC=CC=C4)O
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Product OPENEYE NAME: 4-butyl-3-methyl-5-phenyl-isoxazole
CAS Name: 4-butyl-3-methyl-5-phenylisoxazole
IUPAC NAME: 4-butyl-3-methyl-5-phenyl-1,2-oxazole
SYSTEMATIC NAME: 4-butyl-3-methyl-5-phenyl-1,2-oxazole
MOLECULAR FORMULA: C14H17NO
MOLECULAR WEIGHT: 215.29088
SMILES: CCCCC1=C(ON=C1C)C2=CC=CC=C2
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Product OPENEYE NAME: 4-butyl-3-pentyl-5-phenyl-isoxazole
CAS Name: 4-butyl-3-pentyl-5-phenylisoxazole
IUPAC NAME: 4-butyl-3-pentyl-5-phenyl-1,2-oxazole
SYSTEMATIC NAME: 4-butyl-3-pentyl-5-phenyl-1,2-oxazole
MOLECULAR FORMULA: C18H25NO
MOLECULAR WEIGHT: 271.3972
SMILES: CCCCCC1=NOC(=C1CCCC)C2=CC=CC=C2
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C15H15N3O2
MOLECULAR WEIGHT: 269.2985
SMILES: CN(C=O)[C@@H]1CC2=CNC3=CC=CC(=C23)[C@H]1CN=C=O
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MOLECULAR FORMULA: C14H15N3
MOLECULAR WEIGHT: 225.289
SMILES: CN1C=NC[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34
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MOLECULAR FORMULA: C14H17N3O
MOLECULAR WEIGHT: 243.30428
SMILES: CN[C@@H]1CC2=CNC3=CC=CC(=C23)[C@H]1CNC=O
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MOLECULAR FORMULA: C14H15N3S
MOLECULAR WEIGHT: 257.354
SMILES: CN1[C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2CNC1=S
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MOLECULAR FORMULA: C15H17N3S
MOLECULAR WEIGHT: 271.38058
SMILES: CN1[C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2CN=C1SC
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MOLECULAR FORMULA: C14H16N4
MOLECULAR WEIGHT: 240.30364
SMILES: CN1[C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2CN=C1N
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Product OPENEYE NAME: [(Z)-(1-methylindeno[1,2-d]thiadiazol-1-ium-4-ylidene)amino]-phenyl-azanide
CAS Name: [(Z)-(1-methyl-4-indeno[1,2-d]thiadiazol-1-iumylidene)amino]-phenylazanide
IUPAC NAME: [(Z)-(1-methylindeno[1,2-d]thiadiazol-1-ium-4-ylidene)amino]-phenylazanide
SYSTEMATIC NAME: [(Z)-(1-methylindeno[1,2-d][1,2,3]thiadiazol-1-ium-4-ylidene)amino]-phenyl-azanide
MOLECULAR FORMULA: C16H12N4S
MOLECULAR WEIGHT: 292.35828
SMILES: C[N+]1=NSC\2=C1C3=CC=CC=C3/C2=N/[N-]C4=CC=CC=C4
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Product OPENEYE NAME: N-[(Z)-(1-methylindeno[1,2-d]thiadiazol-1-ium-4-ylidene)amino]aniline
CAS Name: N-[(Z)-(1-methyl-4-indeno[1,2-d]thiadiazol-1-iumylidene)amino]aniline
IUPAC NAME: N-[(Z)-(1-methylindeno[1,2-d]thiadiazol-1-ium-4-ylidene)amino]aniline
SYSTEMATIC NAME: N-[(Z)-(1-methylindeno[1,2-d][1,2,3]thiadiazol-1-ium-4-ylidene)amino]aniline
MOLECULAR FORMULA: C16H13N4S+
MOLECULAR WEIGHT: 293.36622
SMILES: C[N+]1=NSC\2=C1C3=CC=CC=C3/C2=N/NC4=CC=CC=C4
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