Product OPENEYE NAME: 7-methoxy-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-methoxy-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-methoxy-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-methoxy-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C17H18N2O6S
MOLECULAR WEIGHT: 378.39962
SMILES: CC1=C(N2C(C(C2=O)(NC(=O)COC3=CC=CC=C3)OC)SC1)C(=O)O
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Product OPENEYE NAME: 3-methyl-7-[(2-nitrophenyl)sulfinylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 3-methyl-7-[(2-nitrophenyl)sulfinylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 3-methyl-7-[(2-nitrophenyl)sulfinylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-methyl-7-[(2-nitrophenyl)sulfinylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C14H13N3O6S2
MOLECULAR WEIGHT: 383.39952
SMILES: CC1=C(N2C(C(C2=O)NS(=O)C3=CC=CC=C3[N+](=O)[O-])SC1)C(=O)O
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Product OPENEYE NAME: 8-oxospiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-7,3'-thiaziridine]-2-carboxylate
CAS Name: 8-oxo-2-spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-7,3'-thiaziridine]carboxylate
IUPAC NAME: 8-oxospiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-7,3'-thiaziridine]-2-carboxylate
SYSTEMATIC NAME: 8'-oxidanylidenespiro[1,2-thiaziridine-3,7'-5-thia-1-azabicyclo[4.2.0]oct-2-ene]-2'-carboxylate
MOLECULAR FORMULA: C7H5N2O3S2-
MOLECULAR WEIGHT: 229.2562
SMILES: C1C=C(N2C(S1)C3(C2=O)NS3)C(=O)[O-]
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Product OPENEYE NAME: 8-oxospiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-7,3'-thiaziridine]-2-carboxylic acid
CAS Name: 8-oxo-2-spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-7,3'-thiaziridine]carboxylic acid
IUPAC NAME: 8-oxospiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-7,3'-thiaziridine]-2-carboxylic acid
SYSTEMATIC NAME: 8'-oxidanylidenespiro[1,2-thiaziridine-3,7'-5-thia-1-azabicyclo[4.2.0]oct-2-ene]-2'-carboxylic acid
MOLECULAR FORMULA: C7H6N2O3S2
MOLECULAR WEIGHT: 230.26414
SMILES: C1C=C(N2C(S1)C3(C2=O)NS3)C(=O)O
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Product OPENEYE NAME: dibromophosphanyl formate
CAS Name: formic acid dibromophosphino ester
IUPAC NAME: dibromophosphanyl formate
SYSTEMATIC NAME: bis(bromanyl)phosphanyl methanoate
MOLECULAR FORMULA: CHBr2O2P
MOLECULAR WEIGHT: 235.799201
SMILES: C(=O)OP(Br)Br
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Product OPENEYE NAME: (7Z)-3-methyl-8-oxo-7-(2,3,4,5,6-pentachlorophenyl)sulfanylimino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: (7Z)-3-methyl-8-oxo-7-[(2,3,4,5,6-pentachlorophenyl)thio]imino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: (7Z)-3-methyl-8-oxo-7-(2,3,4,5,6-pentachlorophenyl)sulfanylimino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (7Z)-3-methyl-8-oxidanylidene-7-[2,3,4,5,6-pentakis(chloranyl)phenyl]sulfanylimino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C14H7Cl5N2O3S2
MOLECULAR WEIGHT: 492.61198
SMILES: CC1=C(N2C(/C(=N\SC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)/C2=O)SC1)C(=O)O
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Product OPENEYE NAME: dichlorophosphanyl formate
CAS Name: formic acid dichlorophosphino ester
IUPAC NAME: dichlorophosphanyl formate
SYSTEMATIC NAME: bis(chloranyl)phosphanyl methanoate
MOLECULAR FORMULA: CHCl2O2P
MOLECULAR WEIGHT: 146.897201
SMILES: C(=O)OP(Cl)Cl
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Product OPENEYE NAME: 2,3,4,5-tetrahydroxy-6-oxo-heptanedial
CAS Name: 2,3,4,5-tetrahydroxy-6-oxoheptanedial
IUPAC NAME: 2,3,4,5-tetrahydroxy-6-oxoheptanedial
SYSTEMATIC NAME: 2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-heptanedial
MOLECULAR FORMULA: C7H10O7
MOLECULAR WEIGHT: 206.1501
SMILES: C(=O)C(C(C(C(C(=O)C=O)O)O)O)O
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Product OPENEYE NAME: tert-butyl (7Z)-3-methyl-7-(2-nitrophenyl)sulfanylimino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: (7Z)-3-methyl-7-[(2-nitrophenyl)thio]imino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (7Z)-3-methyl-7-(2-nitrophenyl)sulfanylimino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: tert-butyl (7Z)-3-methyl-7-(2-nitrophenyl)sulfanylimino-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C18H19N3O5S2
MOLECULAR WEIGHT: 421.49056
SMILES: CC1=C(N2C(/C(=N\SC3=CC=CC=C3[N+](=O)[O-])/C2=O)SC1)C(=O)OC(C)(C)C
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Product OPENEYE NAME: tert-butyl (7Z)-3-methyl-8-oxo-7-(2,3,4,5,6-pentachlorophenyl)sulfanylimino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: (7Z)-3-methyl-8-oxo-7-[(2,3,4,5,6-pentachlorophenyl)thio]imino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (7Z)-3-methyl-8-oxo-7-(2,3,4,5,6-pentachlorophenyl)sulfanylimino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: tert-butyl (7Z)-3-methyl-8-oxidanylidene-7-[2,3,4,5,6-pentakis(chloranyl)phenyl]sulfanylimino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C18H15Cl5N2O3S2
MOLECULAR WEIGHT: 548.7183
SMILES: CC1=C(N2C(/C(=N\SC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)/C2=O)SC1)C(=O)OC(C)(C)C
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Product OPENEYE NAME: 3-hydrazinopyrazin-2-amine
CAS Name: 3-hydrazinyl-2-pyrazinamine
IUPAC NAME: 3-hydrazinylpyrazin-2-amine
SYSTEMATIC NAME: 3-diazanylpyrazin-2-amine
MOLECULAR FORMULA: C4H7N5
MOLECULAR WEIGHT: 125.13188
SMILES: C1=CN=C(C(=N1)N)NN
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Product OPENEYE NAME: 3,5-dichloro-2-nitro-pyrazine
CAS Name: 3,5-dichloro-2-nitropyrazine
IUPAC NAME: 3,5-dichloro-2-nitropyrazine
SYSTEMATIC NAME: 3,5-bis(chloranyl)-2-nitro-pyrazine
MOLECULAR FORMULA: C4HCl2N3O2
MOLECULAR WEIGHT: 193.97564
SMILES: C1=C(N=C(C(=N1)[N+](=O)[O-])Cl)Cl
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Product OPENEYE NAME: (6-butyldecalin-2-yl) carbonochloridate
CAS Name: carbonochloridic acid (6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) ester
IUPAC NAME: (6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) carbonochloridate
SYSTEMATIC NAME: (6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) carbonochloridate
MOLECULAR FORMULA: C15H25ClO2
MOLECULAR WEIGHT: 272.8108
SMILES: CCCCC1CCC2CC(CCC2C1)OC(=O)Cl
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Product OPENEYE NAME: (6-butyl-2-naphthyl) hydrogen carbonate
CAS Name: carbonic acid (6-butyl-2-naphthalenyl) ester
IUPAC NAME: (6-butylnaphthalen-2-yl) hydrogen carbonate
SYSTEMATIC NAME: (6-butylnaphthalen-2-yl) hydrogen carbonate
MOLECULAR FORMULA: C15H16O3
MOLECULAR WEIGHT: 244.28574
SMILES: CCCCC1=CC2=C(C=C1)C=C(C=C2)OC(=O)O
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Product OPENEYE NAME: decalin-2-yl hydrogen carbonate
CAS Name: carbonic acid 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl ester
IUPAC NAME: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl hydrogen carbonate
SYSTEMATIC NAME: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl hydrogen carbonate
MOLECULAR FORMULA: C11H18O3
MOLECULAR WEIGHT: 198.25882
SMILES: C1CCC2CC(CCC2C1)OC(=O)O
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Product OPENEYE NAME: carbonic acid; decalin
CAS Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene; carbonic acid
IUPAC NAME: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene; carbonic acid
SYSTEMATIC NAME: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene; carbonic acid
MOLECULAR FORMULA: C11H20O3
MOLECULAR WEIGHT: 200.2747
SMILES: C1CCC2CCCCC2C1.C(=O)(O)O
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Product OPENEYE NAME: (4-butyldecalin-2-yl) (4-formylphenyl) carbonate
CAS Name: carbonic acid (4-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) (4-formylphenyl) ester
IUPAC NAME: (4-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) (4-formylphenyl) carbonate
SYSTEMATIC NAME: (4-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) (4-methanoylphenyl) carbonate
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: CCCCC1CC(CC2C1CCCC2)OC(=O)OC3=CC=C(C=C3)C=O
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Product OPENEYE NAME: tetralin-6-yl hydrogen carbonate
CAS Name: carbonic acid 5,6,7,8-tetrahydronaphthalen-2-yl ester
IUPAC NAME: 5,6,7,8-tetrahydronaphthalen-2-yl hydrogen carbonate
SYSTEMATIC NAME: 5,6,7,8-tetrahydronaphthalen-2-yl hydrogen carbonate
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: C1CCC2=C(C1)C=CC(=C2)OC(=O)O
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Product OPENEYE NAME: (6-butyldecalin-2-yl) hydrogen carbonate
CAS Name: carbonic acid (6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) ester
IUPAC NAME: (6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) hydrogen carbonate
SYSTEMATIC NAME: (6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) hydrogen carbonate
MOLECULAR FORMULA: C15H26O3
MOLECULAR WEIGHT: 254.36514
SMILES: CCCCC1CCC2CC(CCC2C1)OC(=O)O
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Product OPENEYE NAME: benzyl (2-chlorocarbonylphenyl) carbonate
CAS Name: carbonic acid (2-carbonochloridoylphenyl) (phenylmethyl) ester
IUPAC NAME: benzyl (2-carbonochloridoylphenyl) carbonate
SYSTEMATIC NAME: (2-carbonochloridoylphenyl) (phenylmethyl) carbonate
MOLECULAR FORMULA: C15H11ClO4
MOLECULAR WEIGHT: 290.69844
SMILES: C1=CC=C(C=C1)COC(=O)OC2=CC=CC=C2C(=O)Cl
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Product OPENEYE NAME: 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]sulfanyl-2-(difluoromethyl)butanoic acid
CAS Name: 2-amino-4-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]thio]-2-(difluoromethyl)butanoic acid
IUPAC NAME: 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanyl-2-(difluoromethyl)butanoic acid
SYSTEMATIC NAME: 4-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]sulfanyl-2-azanyl-2-[bis(fluoranyl)methyl]butanoic acid
MOLECULAR FORMULA: C15H21F2N6O8PS
MOLECULAR WEIGHT: 514.398207
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)SCCC(C(F)F)(C(=O)O)N)O)O
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Product OPENEYE NAME: 2-ethylsulfonyl-1-oxido-pyridin-1-ium
CAS Name: 2-ethylsulfonyl-1-oxidopyridin-1-ium
IUPAC NAME: 2-ethylsulfonyl-1-oxidopyridin-1-ium
SYSTEMATIC NAME: 2-ethylsulfonyl-1-oxidanidyl-pyridin-1-ium
MOLECULAR FORMULA: C7H9NO3S
MOLECULAR WEIGHT: 187.21626
SMILES: CCS(=O)(=O)C1=CC=CC=[N+]1[O-]
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Product OPENEYE NAME: spiro[fluorene-9,4'-imidazolidine]
CAS Name: spiro[fluorene-9,4'-imidazolidine]
IUPAC NAME: spiro[fluorene-9,4'-imidazolidine]
SYSTEMATIC NAME: spiro[fluorene-9,4'-imidazolidine]
MOLECULAR FORMULA: C15H14N2
MOLECULAR WEIGHT: 222.28506
SMILES: C1C2(C3=CC=CC=C3C4=CC=CC=C42)NCN1
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