Monday, March 26, 2012

All Chemical Compounds Information



Product OPENEYE NAME: ethyl 4-[[2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CAS Name: 4-[[1-oxo-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethyl]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[[2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[2-[(2R)-3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoylamino]benzoate
MOLECULAR FORMULA: C20H17F3N2O4S
MOLECULAR WEIGHT: 438.42019
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F
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Product OPENEYE NAME: N-(1-naphthyl)-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: N-(1-naphthalenyl)-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
IUPAC NAME: N-naphthalen-1-yl-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: N-naphthalen-1-yl-2-[(2S)-3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanamide
MOLECULAR FORMULA: C21H15F3N2O2S
MOLECULAR WEIGHT: 416.41621
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)C[C@H]3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F
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Product OPENEYE NAME: N-(1-naphthyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: N-(1-naphthalenyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
IUPAC NAME: N-naphthalen-1-yl-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: N-naphthalen-1-yl-2-[(2R)-3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanamide
MOLECULAR FORMULA: C21H15F3N2O2S
MOLECULAR WEIGHT: 416.41621
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)C[C@@H]3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F
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Product OPENEYE NAME: N-(o-tolyl)-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: N-(2-methylphenyl)-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
IUPAC NAME: N-(2-methylphenyl)-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: N-(2-methylphenyl)-2-[(2S)-3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanamide
MOLECULAR FORMULA: C18H15F3N2O2S
MOLECULAR WEIGHT: 380.38411
SMILES: CC1=CC=CC=C1NC(=O)C[C@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F
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Product OPENEYE NAME: N-(o-tolyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: N-(2-methylphenyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
IUPAC NAME: N-(2-methylphenyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: N-(2-methylphenyl)-2-[(2R)-3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanamide
MOLECULAR FORMULA: C18H15F3N2O2S
MOLECULAR WEIGHT: 380.38411
SMILES: CC1=CC=CC=C1NC(=O)C[C@@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F
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Product OPENEYE NAME: (3S,3aR,6aS)-5-ethyl-3-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
CAS Name: (3S,3aR,6aS)-5-ethyl-3-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
IUPAC NAME: (3S,3aR,6aS)-5-ethyl-3-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SYSTEMATIC NAME: (3S,3aR,6aS)-5-ethyl-3-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
MOLECULAR FORMULA: C20H20N2O4
MOLECULAR WEIGHT: 352.3838
SMILES: CCN1C(=O)[C@@H]2[C@H](N(O[C@@H]2C1=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: (3R,3aS,6aR)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(p-tolyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
CAS Name: (3R,3aS,6aR)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
IUPAC NAME: (3R,3aS,6aR)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SYSTEMATIC NAME: (3R,3aS,6aR)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
MOLECULAR FORMULA: C26H23ClN2O5
MOLECULAR WEIGHT: 478.92422
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)OC)OC
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Product OPENEYE NAME: (3R,3aS,6aR)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
CAS Name: (3R,3aS,6aR)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
IUPAC NAME: (3R,3aS,6aR)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SYSTEMATIC NAME: (3R,3aS,6aR)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
MOLECULAR FORMULA: C26H23ClN2O6
MOLECULAR WEIGHT: 494.92362
SMILES: COC1=CC(=C(C=C1)[C@H]2[C@H]3[C@H](C(=O)N(C3=O)C4=CC(=CC=C4)OC)ON2C5=CC=C(C=C5)Cl)OC
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Product OPENEYE NAME: (3S,3aR,6aS)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-isopropyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
CAS Name: (3S,3aR,6aS)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
IUPAC NAME: (3S,3aR,6aS)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SYSTEMATIC NAME: (3S,3aR,6aS)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
MOLECULAR FORMULA: C22H24ClN3O3
MOLECULAR WEIGHT: 413.89726
SMILES: CC(C)N1C(=O)[C@@H]2[C@H](N(O[C@@H]2C1=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)C
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Product OPENEYE NAME: ethyl 4-[(3S,3aR,6aS)-2-(o-tolyl)-4,6-dioxo-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate
CAS Name: 4-[(3S,3aR,6aS)-2-(2-methylphenyl)-4,6-dioxo-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazol-5-yl]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[(3S,3aR,6aS)-2-(2-methylphenyl)-4,6-dioxo-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[(3S,3aR,6aS)-2-(2-methylphenyl)-4,6-bis(oxidanylidene)-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
MOLECULAR FORMULA: C25H22N2O5S
MOLECULAR WEIGHT: 462.51758
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4C)C5=CC=CS5
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Product OPENEYE NAME: (3S,3aR,6aS)-2-(4-chlorophenyl)-5-isopropyl-3-(p-tolyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
CAS Name: (3S,3aR,6aS)-2-(4-chlorophenyl)-3-(4-methylphenyl)-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
IUPAC NAME: (3S,3aR,6aS)-2-(4-chlorophenyl)-3-(4-methylphenyl)-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SYSTEMATIC NAME: (3S,3aR,6aS)-2-(4-chlorophenyl)-3-(4-methylphenyl)-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
MOLECULAR FORMULA: C21H21ClN2O3
MOLECULAR WEIGHT: 384.85604
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C(C)C)ON2C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (3R,3aS,6aR)-5-(4-methoxyphenyl)-2-phenyl-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
CAS Name: (3R,3aS,6aR)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
IUPAC NAME: (3R,3aS,6aR)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SYSTEMATIC NAME: (3R,3aS,6aR)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
MOLECULAR FORMULA: C22H18N2O4S
MOLECULAR WEIGHT: 406.45432
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=CS5
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Product OPENEYE NAME: (3R,3aS,6aR)-3-(2,4-dimethoxyphenyl)-5-isopropyl-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
CAS Name: (3R,3aS,6aR)-3-(2,4-dimethoxyphenyl)-2-phenyl-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
IUPAC NAME: (3R,3aS,6aR)-3-(2,4-dimethoxyphenyl)-2-phenyl-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SYSTEMATIC NAME: (3R,3aS,6aR)-3-(2,4-dimethoxyphenyl)-2-phenyl-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
MOLECULAR FORMULA: C22H24N2O5
MOLECULAR WEIGHT: 396.43636
SMILES: CC(C)N1C(=O)[C@H]2[C@@H](N(O[C@H]2C1=O)C3=CC=CC=C3)C4=C(C=C(C=C4)OC)OC
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Product OPENEYE NAME: (3S,3aS,6aR)-5-(m-tolyl)-2-phenyl-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
CAS Name: (3S,3aS,6aR)-5-(3-methylphenyl)-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
IUPAC NAME: (3S,3aS,6aR)-5-(3-methylphenyl)-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SYSTEMATIC NAME: (3S,3aS,6aR)-5-(3-methylphenyl)-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
MOLECULAR FORMULA: C22H18N2O3S
MOLECULAR WEIGHT: 390.45492
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=CS5
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Product OPENEYE NAME: (3R,3aS,6aR)-2-(4-chlorophenyl)-5-(m-tolyl)-3-(2-thienyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
CAS Name: (3R,3aS,6aR)-2-(4-chlorophenyl)-5-(3-methylphenyl)-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
IUPAC NAME: (3R,3aS,6aR)-2-(4-chlorophenyl)-5-(3-methylphenyl)-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SYSTEMATIC NAME: (3R,3aS,6aR)-2-(4-chlorophenyl)-5-(3-methylphenyl)-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
MOLECULAR FORMULA: C22H17ClN2O3S
MOLECULAR WEIGHT: 424.89998
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CS5
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MOLECULAR FORMULA: C17H18N2O3
MOLECULAR WEIGHT: 298.33642
SMILES: CC(=O)N1CCN2C3=C(C=C(C=C3)C(=O)O)C4=C2[C@@H]1CCC4
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MOLECULAR FORMULA: C17H18N2O3
MOLECULAR WEIGHT: 298.33642
SMILES: CC(=O)N1CCN2C3=C(C=C(C=C3)C(=O)O)C4=C2[C@H]1CCC4
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MOLECULAR FORMULA: C21H17N3O3S
MOLECULAR WEIGHT: 391.44298
SMILES: COC1=CC2=C(C=C1)NC3=C2CCN4C3=NC5=C(C4=O)C6=C(S5)C(=O)CCC6
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Product OPENEYE NAME: 4-[(benzylamino)methyl]-N,N-dimethyl-aniline
CAS Name: N,N-dimethyl-4-[[(phenylmethyl)amino]methyl]aniline
IUPAC NAME: 4-[(benzylamino)methyl]-N,N-dimethylaniline
SYSTEMATIC NAME: N,N-dimethyl-4-[[(phenylmethyl)amino]methyl]aniline
MOLECULAR FORMULA: C16H20N2
MOLECULAR WEIGHT: 240.3434
SMILES: CN(C)C1=CC=C(C=C1)CNCC2=CC=CC=C2
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