Product OPENEYE NAME: methyl 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzoate
CAS Name: 3-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzoate
MOLECULAR FORMULA: C21H26N2O4S
MOLECULAR WEIGHT: 402.50714
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)OC)C
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Product OPENEYE NAME: 7-hydroxy-4-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]chromen-2-one
CAS Name: 7-hydroxy-4-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-1-benzopyran-2-one
IUPAC NAME: 7-hydroxy-4-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]chromen-2-one
SYSTEMATIC NAME: 4-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C21H16N2O3S
MOLECULAR WEIGHT: 376.42834
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)O
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(5-methylisoxazol-3-yl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(5-methyl-3-isoxazolyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
MOLECULAR FORMULA: C16H18N2O5
MOLECULAR WEIGHT: 318.32452
SMILES: CC1=CC(=NO1)NC(=O)[C@@H](C)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester
IUPAC NAME: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H16N2O5
MOLECULAR WEIGHT: 376.36214
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=CC(=O)N4C=CC=C(C4=N3)C
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Product OPENEYE NAME: methyl N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate
SYSTEMATIC NAME: methyl N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate
MOLECULAR FORMULA: C16H24N3O5S+
MOLECULAR WEIGHT: 370.44386
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)OC)C
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Product OPENEYE NAME: methyl N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
SYSTEMATIC NAME: methyl N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoyl]carbamate
MOLECULAR FORMULA: C16H23N3O5S
MOLECULAR WEIGHT: 369.43592
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)OC)C
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(5-methylisoxazol-3-yl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(5-methyl-3-isoxazolyl)propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SYSTEMATIC NAME: (2S)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
MOLECULAR FORMULA: C16H18N2O5
MOLECULAR WEIGHT: 318.32452
SMILES: CC1=CC(=NO1)NC(=O)[C@H](C)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: [2-(2-cyanoethylamino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-cyanoethylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C16H14N2O5
MOLECULAR WEIGHT: 314.29276
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NCCC#N
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Product OPENEYE NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(m-tolyl)propanamide
CAS Name: (2R)-N-(3-methylphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-(3-methylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-(3-methylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H21N3OS
MOLECULAR WEIGHT: 363.47594
SMILES: CC1=CC(=CC=C1)NC(=O)[C@@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(4-isopropylphenyl)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester
IUPAC NAME: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H20O5
MOLECULAR WEIGHT: 364.3912
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=CC=C(C=C3)C(C)C
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Product OPENEYE NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(m-tolyl)propanamide
CAS Name: (2S)-N-(3-methylphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-(3-methylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-(3-methylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H21N3OS
MOLECULAR WEIGHT: 363.47594
SMILES: CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-benzyl-N-tert-butyl-propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-tert-butyl-N-(phenylmethyl)propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-benzyl-N-tert-butylpropanamide
SYSTEMATIC NAME: (2S)-N-tert-butyl-2-(4-ethanoyl-2-methoxy-phenoxy)-N-(phenylmethyl)propanamide
MOLECULAR FORMULA: C23H29NO4
MOLECULAR WEIGHT: 383.48066
SMILES: C[C@@H](C(=O)N(CC1=CC=CC=C1)C(C)(C)C)OC2=C(C=C(C=C2)C(=O)C)OC
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