Product OPENEYE NAME: 1-methyl-2-[(Z)-2-(p-tolylsulfinyl)vinyl]indole
CAS Name: 1-methyl-2-[(Z)-2-(4-methylphenyl)sulfinylethenyl]indole
IUPAC NAME: 1-methyl-2-[(Z)-2-(4-methylphenyl)sulfinylethenyl]indole
SYSTEMATIC NAME: 1-methyl-2-[(Z)-2-(4-methylphenyl)sulfinylethenyl]indole
MOLECULAR FORMULA: C18H17NOS
MOLECULAR WEIGHT: 295.39868
SMILES: CC1=CC=C(C=C1)S(=O)/C=C\C2=CC3=CC=CC=C3N2C
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Product OPENEYE NAME: 3-formyl-2-methyl-indole-1-carboxylate
CAS Name: 3-formyl-2-methyl-1-indolecarboxylate
IUPAC NAME: 3-formyl-2-methylindole-1-carboxylate
SYSTEMATIC NAME: 3-methanoyl-2-methyl-indole-1-carboxylate
MOLECULAR FORMULA: C11H8NO3-
MOLECULAR WEIGHT: 202.18612
SMILES: CC1=C(C2=CC=CC=C2N1C(=O)[O-])C=O
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Product OPENEYE NAME: 3-formyl-2-methyl-indole-1-carboxylic acid
CAS Name: 3-formyl-2-methyl-1-indolecarboxylic acid
IUPAC NAME: 3-formyl-2-methylindole-1-carboxylic acid
SYSTEMATIC NAME: 3-methanoyl-2-methyl-indole-1-carboxylic acid
MOLECULAR FORMULA: C11H9NO3
MOLECULAR WEIGHT: 203.19406
SMILES: CC1=C(C2=CC=CC=C2N1C(=O)O)C=O
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Product OPENEYE NAME: 2-(benzenesulfonyl)-4,4,4-trifluoro-3-oxo-butanenitrile
CAS Name: 2-(benzenesulfonyl)-4,4,4-trifluoro-3-oxobutanenitrile
IUPAC NAME: 2-(benzenesulfonyl)-4,4,4-trifluoro-3-oxobutanenitrile
SYSTEMATIC NAME: 4,4,4-tris(fluoranyl)-3-oxidanylidene-2-(phenylsulfonyl)butanenitrile
MOLECULAR FORMULA: C10H6F3NO3S
MOLECULAR WEIGHT: 277.21975
SMILES: C1=CC=C(C=C1)S(=O)(=O)C(C#N)C(=O)C(F)(F)F
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Product OPENEYE NAME: 4,4,4-trifluoro-3-oxo-2-(p-tolylsulfonyl)butanenitrile
CAS Name: 4,4,4-trifluoro-2-(4-methylphenyl)sulfonyl-3-oxobutanenitrile
IUPAC NAME: 4,4,4-trifluoro-2-(4-methylphenyl)sulfonyl-3-oxobutanenitrile
SYSTEMATIC NAME: 4,4,4-tris(fluoranyl)-2-(4-methylphenyl)sulfonyl-3-oxidanylidene-butanenitrile
MOLECULAR FORMULA: C11H8F3NO3S
MOLECULAR WEIGHT: 291.24633
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C(=O)C(F)(F)F
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Product OPENEYE NAME: 2-(benzenesulfonyl)-4,4,4-trifluoro-3,3-dihydroxy-butanenitrile
CAS Name: 2-(benzenesulfonyl)-4,4,4-trifluoro-3,3-dihydroxybutanenitrile
IUPAC NAME: 2-(benzenesulfonyl)-4,4,4-trifluoro-3,3-dihydroxybutanenitrile
SYSTEMATIC NAME: 4,4,4-tris(fluoranyl)-3,3-bis(oxidanyl)-2-(phenylsulfonyl)butanenitrile
MOLECULAR FORMULA: C10H8F3NO4S
MOLECULAR WEIGHT: 295.23503
SMILES: C1=CC=C(C=C1)S(=O)(=O)C(C#N)C(C(F)(F)F)(O)O
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Product OPENEYE NAME: 4,4,4-trifluoro-3,3-dihydroxy-2-(p-tolylsulfonyl)butanenitrile
CAS Name: 4,4,4-trifluoro-3,3-dihydroxy-2-(4-methylphenyl)sulfonylbutanenitrile
IUPAC NAME: 4,4,4-trifluoro-3,3-dihydroxy-2-(4-methylphenyl)sulfonylbutanenitrile
SYSTEMATIC NAME: 4,4,4-tris(fluoranyl)-2-(4-methylphenyl)sulfonyl-3,3-bis(oxidanyl)butanenitrile
MOLECULAR FORMULA: C11H10F3NO4S
MOLECULAR WEIGHT: 309.26161
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C(C(F)(F)F)(O)O
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Product OPENEYE NAME: 2-(5-chloro-3-methyl-pyrazol-1-yl)-1-(4-methoxyphenyl)ethanol
CAS Name: 2-(5-chloro-3-methyl-1-pyrazolyl)-1-(4-methoxyphenyl)ethanol
IUPAC NAME: 2-(5-chloro-3-methylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanol
SYSTEMATIC NAME: 2-(5-chloranyl-3-methyl-pyrazol-1-yl)-1-(4-methoxyphenyl)ethanol
MOLECULAR FORMULA: C13H15ClN2O2
MOLECULAR WEIGHT: 266.7234
SMILES: CC1=NN(C(=C1)Cl)CC(C2=CC=C(C=C2)OC)O
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Product OPENEYE NAME: (2S)-2-[[4-[(2,4-diacetamido-5,6,7,8-tetrahydroquinazolin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
CAS Name: (2S)-2-[[[4-[(2,4-diacetamido-5,6,7,8-tetrahydroquinazolin-6-yl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
IUPAC NAME: (2S)-2-[[4-[(2,4-diacetamido-5,6,7,8-tetrahydroquinazolin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[(2,4-diacetamido-5,6,7,8-tetrahydroquinazolin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C26H32N6O7
MOLECULAR WEIGHT: 540.56828
SMILES: CC(=O)NC1=NC(=NC2=C1CC(CC2)CN(C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)C
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Product OPENEYE NAME: benzyl 2-butyl-5-[(E)-4-oxopent-2-enyl]pyrrolidine-1-carboxylate
CAS Name: 2-butyl-5-[(E)-4-oxopent-2-enyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-butyl-5-[(E)-4-oxopent-2-enyl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 2-butyl-5-[(E)-4-oxidanylidenepent-2-enyl]pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C21H29NO3
MOLECULAR WEIGHT: 343.45986
SMILES: CCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)C/C=C/C(=O)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H25N4P
MOLECULAR WEIGHT: 508.552161
SMILES: C1CC2=C(C1)/C(=N\[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/N6C7=CC=CC=C7N=C6C2=C=[N-]
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MOLECULAR FORMULA: C33H26N4P+
MOLECULAR WEIGHT: 509.560101
SMILES: C1CC2=C(C1)/C(=N\[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/N6C7=CC=CC=C7N=C6C2=C=N
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MOLECULAR FORMULA: C15H10N6
MOLECULAR WEIGHT: 274.2801
SMILES: C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)N=[N+]=[N-])C#N
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MOLECULAR FORMULA: C22H25N3OS
MOLECULAR WEIGHT: 379.5184
SMILES: CCCCCS(=O)C1=C2CCCCCC2=C(C3=NC4=CC=CC=C4N13)C#N
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H30N4O2-2
MOLECULAR WEIGHT: 550.649
SMILES: CC1=NC2=CC=CC=C2N=C(C(=C(C3=CC=CC=C3)[O-])C(=NC4=CC=CC=C4N=C(C1=C(C5=CC=CC=C5)[O-])C)C)C
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MOLECULAR FORMULA: C38H34N4O2-2
MOLECULAR WEIGHT: 578.70216
SMILES: CC1=CC=C(C=C1)C(=C2C(=NC3=CC=CC=C3N=C(C(=C(C4=CC=C(C=C4)C)[O-])C(=NC5=CC=CC=C5N=C2C)C)C)C)[O-]
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