Product OPENEYE NAME: [3,4,5-triacetoxy-6-[4-[[3-[bis[4-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxyphenyl]sulfamoyl]-5-sulfamoyl-phenyl]sulfonylamino]phenoxy]tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[4-[[3-[bis[4-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]phenyl]sulfamoyl]-5-sulfamoylphenyl]sulfonylamino]phenoxy]-2-oxanyl]methyl ester
IUPAC NAME: [3,4,5-triacetyloxy-6-[4-[[3-[bis[4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]sulfamoyl]-5-sulfamoylphenyl]sulfonylamino]phenoxy]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[4-[[3-[bis[4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]sulfamoyl]-5-sulfamoyl-phenyl]sulfonylamino]phenoxy]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C66H75N3O36S3
MOLECULAR WEIGHT: 1582.4952
SMILES: CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3)S(=O)(=O)N)S(=O)(=O)N(C4=CC=C(C=C4)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C6=CC=C(C=C6)OC7C(C(C(C(O7)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [2-[4-[[4-[bis[4-[3,4,5-trisulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxyphenyl]sulfamoyl]-7-sulfamoyl-2-naphthyl]sulfonylamino]phenoxy]-3,5-disulfooxy-6-(sulfooxymethyl)tetrahydropyran-4-yl] hydrogen sulfate
CAS Name: sulfuric acid [2-[4-[[4-[bis[4-[[3,4,5-trisulfooxy-6-(sulfooxymethyl)-2-oxanyl]oxy]phenyl]sulfamoyl]-7-sulfamoyl-2-naphthalenyl]sulfonylamino]phenoxy]-3,5-disulfooxy-6-(sulfooxymethyl)-4-oxanyl] ester
IUPAC NAME: [2-[4-[[4-[bis[4-[3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyphenyl]sulfamoyl]-7-sulfamoylnaphthalen-2-yl]sulfonylamino]phenoxy]-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate
SYSTEMATIC NAME: [2-[4-[[4-[bis[4-[3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyphenyl]sulfamoyl]-7-sulfamoyl-naphthalen-2-yl]sulfonylamino]phenoxy]-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate
MOLECULAR FORMULA: C46H53N3O60S15
MOLECULAR WEIGHT: 2088.87212
SMILES: C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C3C=CC(=CC3=C2)S(=O)(=O)N)S(=O)(=O)N(C4=CC=C(C=C4)OC5C(C(C(C(O5)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C6=CC=C(C=C6)OC7C(C(C(C(O7)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OC8C(C(C(C(O8)COS(=O)(=O)O)OS(=O)(=O)
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Product OPENEYE NAME: [2-[4-[[3-[bis[4-[3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxyphenyl]sulfamoyl]-5-sulfamoyl-phenyl]sulfonylamino]phenoxy]-3,5-disulfonatooxy-6-(sulfonatooxymethyl)tetrahydropyran-4-yl] sulfate; triethylammonium
CAS Name: [2-[4-[[3-[bis[4-[[3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)-2-oxanyl]oxy]phenyl]sulfamoyl]-5-sulfamoylphenyl]sulfonylamino]phenoxy]-3,5-disulfonatooxy-6-(sulfonatooxymethyl)-4-oxanyl] sulfate; triethylammonium
IUPAC NAME: [2-[4-[[3-[bis[4-[3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyphenyl]sulfamoyl]-5-sulfamoylphenyl]sulfonylamino]phenoxy]-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate; triethylazanium
SYSTEMATIC NAME: [2-[4-[[3-[bis[4-[3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyphenyl]sulfamoyl]-5-sulfamoyl-phenyl]sulfonylamino]phenoxy]-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate; triethylazanium
MOLECULAR FORMULA: C114H231N15O60S15
MOLECULAR WEIGHT: 3253.09344
SMILES: CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.C1=CC(=CC=C1NS(=O)(=O)C2=CC(=CC(=C2)S(=O)(=O)N)S(=O)(=O)N(C3=CC=C(C=C3)OC4C(C(C(C(O4)CO
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Product OPENEYE NAME: [3,5-disulfooxy-2-(sulfooxymethyl)-6-[4-[[4-[[4-[3,4,5-trisulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxyphenyl]carbamoyl]benzoyl]amino]phenoxy]tetrahydropyran-4-yl] hydrogen sulfate
CAS Name: sulfuric acid [2-[4-[[oxo-[4-[oxo-[4-[[3,4,5-trisulfooxy-6-(sulfooxymethyl)-2-oxanyl]oxy]anilino]methyl]phenyl]methyl]amino]phenoxy]-3,5-disulfooxy-6-(sulfooxymethyl)-4-oxanyl] ester
IUPAC NAME: [3,5-disulfooxy-2-(sulfooxymethyl)-6-[4-[[4-[[4-[3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]benzoyl]amino]phenoxy]oxan-4-yl] hydrogen sulfate
SYSTEMATIC NAME: [3,5-disulfooxy-2-(sulfooxymethyl)-6-[4-[[4-[[4-[3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]carbonylamino]phenoxy]oxan-4-yl] hydrogen sulfate
MOLECULAR FORMULA: C32H36N2O38S8
MOLECULAR WEIGHT: 1313.13884
SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)OC3C(C(C(C(O3)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C(=O)NC4=CC=C(C=C4)OC5C(C(C(C(O5)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
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Product OPENEYE NAME: [3,5-disulfooxy-2-(sulfooxymethyl)-6-[4-[[6-[[4-[3,4,5-trisulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxyphenyl]sulfamoyl]-2-naphthyl]sulfonylamino]phenoxy]tetrahydropyran-4-yl] hydrogen sulfate
CAS Name: sulfuric acid [3,5-disulfooxy-2-(sulfooxymethyl)-6-[4-[[6-[[4-[[3,4,5-trisulfooxy-6-(sulfooxymethyl)-2-oxanyl]oxy]phenyl]sulfamoyl]-2-naphthalenyl]sulfonylamino]phenoxy]-4-oxanyl] ester
IUPAC NAME: [3,5-disulfooxy-2-(sulfooxymethyl)-6-[4-[[6-[[4-[3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyphenyl]sulfamoyl]naphthalen-2-yl]sulfonylamino]phenoxy]oxan-4-yl] hydrogen sulfate
SYSTEMATIC NAME: [3,5-disulfooxy-2-(sulfooxymethyl)-6-[4-[[6-[[4-[3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyphenyl]sulfamoyl]naphthalen-2-yl]sulfonylamino]phenoxy]oxan-4-yl] hydrogen sulfate
MOLECULAR FORMULA: C34H38N2O40S10
MOLECULAR WEIGHT: 1435.30492
SMILES: C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)OC5C(C(C(C(O5)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OC6C(C(C(C(O6)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
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Product OPENEYE NAME: 2-(2-aminothiazol-4-yl)propanoic acid
CAS Name: 2-(2-amino-4-thiazolyl)propanoic acid
IUPAC NAME: 2-(2-amino-1,3-thiazol-4-yl)propanoic acid
SYSTEMATIC NAME: 2-(2-azanyl-1,3-thiazol-4-yl)propanoic acid
MOLECULAR FORMULA: C6H8N2O2S
MOLECULAR WEIGHT: 172.20492
SMILES: CC(C1=CSC(=N1)N)C(=O)O
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Product OPENEYE NAME: 3-(carbamoyloxymethyl)-7-[[2-(2-formamidothiazol-4-yl)-2-oxo-ethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 3-(carbamoyloxymethyl)-7-[[2-(2-formamido-4-thiazolyl)-2-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 3-(carbamoyloxymethyl)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-(aminocarbonyloxymethyl)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-oxidanylidene-ethyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C15H15N5O7S2
MOLECULAR WEIGHT: 441.4389
SMILES: C1C(=C(N2C(S1)C(C2=O)NCC(=O)C3=CSC(=N3)NC=O)C(=O)O)COC(=O)N
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Product OPENEYE NAME: 7-[[2-(2-formamidothiazol-5-yl)-2-oxo-ethyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[2-(2-formamido-5-thiazolyl)-2-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[2-(2-formamido-1,3-thiazol-5-yl)-2-oxoethyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[2-(2-formamido-1,3-thiazol-5-yl)-2-oxidanylidene-ethyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H16N8O5S3
MOLECULAR WEIGHT: 496.54384
SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NCC(=O)C4=CN=C(S4)NC=O)SC2)C(=O)O
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Product OPENEYE NAME: 7-[[2-(5-chloro-2-formamido-thiazol-4-yl)-2-oxo-ethyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[2-(5-chloro-2-formamido-4-thiazolyl)-2-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoethyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[2-(5-chloranyl-2-formamido-1,3-thiazol-4-yl)-2-oxidanylidene-ethyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H15ClN8O5S3
MOLECULAR WEIGHT: 530.9889
SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NCC(=O)C4=C(SC(=N4)NC=O)Cl)SC2)C(=O)O
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Product OPENEYE NAME: 7-[[2-(5-chloro-2-imino-5H-thiazol-4-yl)-2-hydroxy-acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[2-(5-chloro-2-imino-5H-thiazol-4-yl)-2-hydroxy-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[2-(5-chloro-2-imino-5H-1,3-thiazol-4-yl)-2-hydroxyacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[2-(2-azanylidene-5-chloranyl-5H-1,3-thiazol-4-yl)-2-oxidanyl-ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C15H15ClN8O5S3
MOLECULAR WEIGHT: 518.9782
SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=NC(=N)SC4Cl)O)SC2)C(=O)O
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Product OPENEYE NAME: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-oxo-2-(2-oxo-3H-thiazol-4-yl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-7-[[2-oxo-2-(2-oxo-3H-thiazol-4-yl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-oxo-2-(2-oxo-3H-1,3-thiazol-4-yl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-7-[[2-oxidanylidene-2-(2-oxidanylidene-3H-1,3-thiazol-4-yl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C15H15N7O5S3
MOLECULAR WEIGHT: 469.5185
SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NCC(=O)C4=CSC(=O)N4)SC2)C(=O)O
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Product OPENEYE NAME: 7-[[2-(2-aminothiazol-4-yl)-2-oxo-acetyl]amino]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[2-(2-amino-4-thiazolyl)-1,2-dioxoethyl]amino]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetyl]amino]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-ethanoyl]amino]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C13H10N4O5S3
MOLECULAR WEIGHT: 398.4373
SMILES: C1C=C(N2C(S1)C(C2=O)(C=S)NC(=O)C(=O)C3=CSC(=N3)N)C(=O)O
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Product OPENEYE NAME: 2H-pyrrolo[3,4-c]quinoline
CAS Name: 2H-pyrrolo[3,4-c]quinoline
IUPAC NAME: 2H-pyrrolo[3,4-c]quinoline
SYSTEMATIC NAME: 2H-pyrrolo[3,4-c]quinoline
MOLECULAR FORMULA: C11H8N2
MOLECULAR WEIGHT: 168.19462
SMILES: C1=CC=C2C(=C1)C3=CNC=C3C=N2
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Product OPENEYE NAME: 3-cyano-2,6-dimethyl-quinoline-4-carboxylic acid
CAS Name: 3-cyano-2,6-dimethyl-4-quinolinecarboxylic acid
IUPAC NAME: 3-cyano-2,6-dimethylquinoline-4-carboxylic acid
SYSTEMATIC NAME: 3-cyano-2,6-dimethyl-quinoline-4-carboxylic acid
MOLECULAR FORMULA: C13H10N2O2
MOLECULAR WEIGHT: 226.2307
SMILES: CC1=CC2=C(C=C1)N=C(C(=C2C(=O)O)C#N)C
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Product OPENEYE NAME: [1-(p-tolyl)pyrrolidin-2-yl] benzoate
CAS Name: benzoic acid [1-(4-methylphenyl)-2-pyrrolidinyl] ester
IUPAC NAME: [1-(4-methylphenyl)pyrrolidin-2-yl] benzoate
SYSTEMATIC NAME: [1-(4-methylphenyl)pyrrolidin-2-yl] benzoate
MOLECULAR FORMULA: C18H19NO2
MOLECULAR WEIGHT: 281.34896
SMILES: CC1=CC=C(C=C1)N2CCCC2OC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 4,8-dimethylpyrrolo[3,4-c]quinoline-1,3-dione
CAS Name: 4,8-dimethylpyrrolo[3,4-c]quinoline-1,3-dione
IUPAC NAME: 4,8-dimethylpyrrolo[3,4-c]quinoline-1,3-dione
SYSTEMATIC NAME: 4,8-dimethylpyrrolo[3,4-c]quinoline-1,3-dione
MOLECULAR FORMULA: C13H10N2O2
MOLECULAR WEIGHT: 226.2307
SMILES: CC1=CC2=C3C(=C(N=C2C=C1)C)C(=O)NC3=O
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Product OPENEYE NAME: 3a,4,5,9,9a,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline
CAS Name: 3a,4,5,9,9a,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline
IUPAC NAME: 3a,4,5,9,9a,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline
SYSTEMATIC NAME: 3a,4,5,9,9a,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline
MOLECULAR FORMULA: C11H14N2
MOLECULAR WEIGHT: 174.24226
SMILES: C1C=CC=C2C1C3CN=CC3CN2
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