Product OPENEYE NAME: urea; ureidourea
CAS Name: (carbamoylamino)urea; urea
IUPAC NAME: (carbamoylamino)urea; urea
SYSTEMATIC NAME: 1-(aminocarbonylamino)urea; urea
MOLECULAR FORMULA: C3H10N6O3
MOLECULAR WEIGHT: 178.1499
SMILES: C(=O)(N)N.C(=O)(N)NNC(=O)N
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Product OPENEYE NAME: (E)-but-2-enal; urea
CAS Name: (E)-2-butenal; urea
IUPAC NAME: (E)-but-2-enal; urea
SYSTEMATIC NAME: (E)-but-2-enal; urea
MOLECULAR FORMULA: C5H10N2O2
MOLECULAR WEIGHT: 130.1451
SMILES: C/C=C/C=O.C(=O)(N)N
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Product OPENEYE NAME: 2-(4,4,4-trifluoro-1-methyl-butyl)-1,2$l^{3}-oxasilinane
CAS Name: 2-(5,5,5-trifluoropentan-2-yl)-1,2$l^{3}-oxasilinane
IUPAC NAME: 2-(5,5,5-trifluoropentan-2-yl)-1,2$l^{3}-oxasilinane
SYSTEMATIC NAME: 2-[5,5,5-tris(fluoranyl)pentan-2-yl]-1,2$l^{3}-oxasilinane
MOLECULAR FORMULA: C9H16F3OSi
MOLECULAR WEIGHT: 225.30345
SMILES: CC(CCC(F)(F)F)[Si]1CCCCO1
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Product OPENEYE NAME: bis(2-ethylhexyl) decanedioate; trioctyl phosphate
CAS Name: decanedioic acid bis(2-ethylhexyl) ester; phosphoric acid trioctyl ester
IUPAC NAME: bis(2-ethylhexyl) decanedioate; trioctyl phosphate
SYSTEMATIC NAME: bis(2-ethylhexyl) decanedioate; trioctyl phosphate
MOLECULAR FORMULA: C50H101O8P
MOLECULAR WEIGHT: 861.305901
SMILES: CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC.CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC
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Product OPENEYE NAME: (5Z)-9-methylspiro[bicyclo[6.2.0]deca-1(8),5-diene-7,1'-cyclopropane]
CAS Name: (5Z)-9-methylspiro[bicyclo[6.2.0]deca-1(8),5-diene-7,1'-cyclopropane]
IUPAC NAME: (5Z)-9-methylspiro[bicyclo[6.2.0]deca-1(8),5-diene-7,1'-cyclopropane]
SYSTEMATIC NAME: (5Z)-9-methylspiro[bicyclo[6.2.0]deca-1(8),5-diene-7,1'-cyclopropane]
MOLECULAR FORMULA: C13H18
MOLECULAR WEIGHT: 174.28202
SMILES: CC1CC2=C1C3(CC3)/C=C\CCC2
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Product OPENEYE NAME: methyl 2-(cyclohexoxysulfonyl)benzoate
CAS Name: 2-cyclohexyloxysulfonylbenzoic acid methyl ester
IUPAC NAME: methyl 2-cyclohexyloxysulfonylbenzoate
SYSTEMATIC NAME: methyl 2-cyclohexyloxysulfonylbenzoate
MOLECULAR FORMULA: C14H18O5S
MOLECULAR WEIGHT: 298.35472
SMILES: COC(=O)C1=CC=CC=C1S(=O)(=O)OC2CCCCC2
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Product OPENEYE NAME: (2,3-dimethylcyclohexyl) 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid (2,3-dimethylcyclohexyl) ester
IUPAC NAME: (2,3-dimethylcyclohexyl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (2,3-dimethylcyclohexyl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C15H22O3S
MOLECULAR WEIGHT: 282.39838
SMILES: CC1CCCC(C1C)OS(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: [2-(cyclohexylcarbamoyloxy)cyclohexyl] 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid [2-[(cyclohexylamino)-oxomethoxy]cyclohexyl] ester
IUPAC NAME: [2-(cyclohexylcarbamoyloxy)cyclohexyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [2-(cyclohexylcarbamoyloxy)cyclohexyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C20H29NO5S
MOLECULAR WEIGHT: 395.51296
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2OC(=O)NC3CCCCC3
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Product OPENEYE NAME: (2E,4E)-N-(hydroxymethyl)hexa-2,4-dienamide
CAS Name: (2E,4E)-N-(hydroxymethyl)hexa-2,4-dienamide
IUPAC NAME: (2E,4E)-N-(hydroxymethyl)hexa-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-(hydroxymethyl)hexa-2,4-dienamide
MOLECULAR FORMULA: C7H11NO2
MOLECULAR WEIGHT: 141.16774
SMILES: C/C=C/C=C/C(=O)NCO
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Product OPENEYE NAME: 5-chloro-1-(2-methylprop-2-enoyl)indoline-2-carboxylic acid
CAS Name: 5-chloro-1-(2-methyl-1-oxoprop-2-enyl)-2,3-dihydroindole-2-carboxylic acid
IUPAC NAME: 5-chloro-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
SYSTEMATIC NAME: 5-chloranyl-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
MOLECULAR FORMULA: C13H12ClNO3
MOLECULAR WEIGHT: 265.69228
SMILES: CC(=C)C(=O)N1C(CC2=C1C=CC(=C2)Cl)C(=O)O
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Product OPENEYE NAME: 1-[3-[3-(2-carboxyindolin-1-yl)propanoyldisulfanyl]-3-oxo-propyl]indoline-2-carboxylic acid
CAS Name: 1-[3-[[3-(2-carboxy-2,3-dihydroindol-1-yl)-1-oxopropyl]disulfanyl]-3-oxopropyl]-2,3-dihydroindole-2-carboxylic acid
IUPAC NAME: 1-[3-[3-(2-carboxy-2,3-dihydroindol-1-yl)propanoyldisulfanyl]-3-oxopropyl]-2,3-dihydroindole-2-carboxylic acid
SYSTEMATIC NAME: 1-[3-[3-(2-carboxy-2,3-dihydroindol-1-yl)propanoyldisulfanyl]-3-oxidanylidene-propyl]-2,3-dihydroindole-2-carboxylic acid
MOLECULAR FORMULA: C24H24N2O6S2
MOLECULAR WEIGHT: 500.58716
SMILES: C1C(N(C2=CC=CC=C21)CCC(=O)SSC(=O)CCN3C(CC4=CC=CC=C43)C(=O)O)C(=O)O
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Product OPENEYE NAME: 1-acetonyl-5-chloro-3-methyl-1-sulfanyl-indolin-1-ium-2-carboxylic acid
CAS Name: 5-chloro-1-mercapto-3-methyl-1-(2-oxopropyl)-2,3-dihydroindol-1-ium-2-carboxylic acid
IUPAC NAME: 5-chloro-3-methyl-1-(2-oxopropyl)-1-sulfanyl-2,3-dihydroindol-1-ium-2-carboxylic acid
SYSTEMATIC NAME: 5-chloranyl-3-methyl-1-(2-oxidanylidenepropyl)-1-sulfanyl-2,3-dihydroindol-1-ium-2-carboxylic acid
MOLECULAR FORMULA: C13H15ClNO3S+
MOLECULAR WEIGHT: 300.7811
SMILES: CC1C([N+](C2=C1C=C(C=C2)Cl)(CC(=O)C)S)C(=O)O
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Product OPENEYE NAME: 1-(3-benzoylsulfanyl-2-methyl-propanoyl)-5-chloro-indoline-2-carboxylic acid
CAS Name: 1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-5-chloro-2,3-dihydroindole-2-carboxylic acid
IUPAC NAME: 1-(3-benzoylsulfanyl-2-methylpropanoyl)-5-chloro-2,3-dihydroindole-2-carboxylic acid
SYSTEMATIC NAME: 5-chloranyl-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-2,3-dihydroindole-2-carboxylic acid
MOLECULAR FORMULA: C20H18ClNO4S
MOLECULAR WEIGHT: 403.87922
SMILES: CC(CSC(=O)C1=CC=CC=C1)C(=O)N2C(CC3=C2C=CC(=C3)Cl)C(=O)O
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Product OPENEYE NAME: potassium methylsulfinylmethane hydroxide
CAS Name: potassium methylsulfinylmethane hydroxide
IUPAC NAME: potassium methylsulfinylmethane hydroxide
SYSTEMATIC NAME: potassium methylsulfinylmethane hydroxide
MOLECULAR FORMULA: C2H7KO2S
MOLECULAR WEIGHT: 134.23908
SMILES: CS(=O)C.[OH-].[K+]
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Product OPENEYE NAME: 9-chloro-4-methyl-3,4,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole-1,5-dione
CAS Name: 9-chloro-4-methyl-3,4,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole-1,5-dione
IUPAC NAME: 9-chloro-4-methyl-3,4,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole-1,5-dione
SYSTEMATIC NAME: 9-chloranyl-4-methyl-3,4,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole-1,5-dione
MOLECULAR FORMULA: C13H12ClNO2S
MOLECULAR WEIGHT: 281.75788
SMILES: CC1CSC(=O)C2CC3=C(N2C1=O)C=CC(=C3)Cl
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Product OPENEYE NAME: 3,4,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole-1,5-dione
CAS Name: 3,4,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole-1,5-dione
IUPAC NAME: 3,4,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole-1,5-dione
SYSTEMATIC NAME: 3,4,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole-1,5-dione
MOLECULAR FORMULA: C12H11NO2S
MOLECULAR WEIGHT: 233.28624
SMILES: C1CSC(=O)C2CC3=CC=CC=C3N2C1=O
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Product OPENEYE NAME: 1-(3-benzoylsulfanylpropanoyl)-5-methoxy-indoline-2-carboxylic acid
CAS Name: 1-[3-(benzoylthio)-1-oxopropyl]-5-methoxy-2,3-dihydroindole-2-carboxylic acid
IUPAC NAME: 1-(3-benzoylsulfanylpropanoyl)-5-methoxy-2,3-dihydroindole-2-carboxylic acid
SYSTEMATIC NAME: 5-methoxy-1-[3-(phenylcarbonylsulfanyl)propanoyl]-2,3-dihydroindole-2-carboxylic acid
MOLECULAR FORMULA: C20H19NO5S
MOLECULAR WEIGHT: 385.43356
SMILES: COC1=CC2=C(C=C1)N(C(C2)C(=O)O)C(=O)CCSC(=O)C3=CC=CC=C3
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