Product OPENEYE NAME: 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; sulfuric acid; dihydrate
CAS Name: 3-[(3-methyl-5-imidazo[4,5-c]pyridin-5-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; sulfuric acid; dihydrate
IUPAC NAME: 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; sulfuric acid; dihydrate
SYSTEMATIC NAME: 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; sulfuric acid; dihydrate
MOLECULAR FORMULA: C15H20N4O9S2
MOLECULAR WEIGHT: 464.4707
SMILES: CN1C=NC2=C1C=[N+](C=C2)CC3=C(N4C(CC4=O)SC3)C(=O)[O-].O.O.OS(=O)(=O)O
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Product OPENEYE NAME: 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 3-[(3-methyl-5-imidazo[4,5-c]pyridin-5-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 3-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C15H14N4O3S
MOLECULAR WEIGHT: 330.36166
SMILES: CN1C=NC2=C1C=[N+](C=C2)CC3=C(N4C(CC4=O)SC3)C(=O)[O-]
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Product OPENEYE NAME: 7-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; sulfuric acid; dihydrate
CAS Name: 7-[(3-methyl-5-imidazo[4,5-c]pyridin-5-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; sulfuric acid; dihydrate
IUPAC NAME: 7-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; sulfuric acid; dihydrate
SYSTEMATIC NAME: 7-[(3-methylimidazo[4,5-c]pyridin-5-ium-5-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; sulfuric acid; dihydrate
MOLECULAR FORMULA: C15H20N4O9S2
MOLECULAR WEIGHT: 464.4707
SMILES: CN1C=NC2=C1C=[N+](C=C2)CC3C4N(C3=O)C(=CCS4)C(=O)[O-].O.O.OS(=O)(=O)O
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Product OPENEYE NAME: S-[1-(tritylamino)ethyl] N-(2,6-dimethylcyclohexyl)carbamothioate
CAS Name: N-(2,6-dimethylcyclohexyl)carbamothioic acid S-[1-[(triphenylmethyl)amino]ethyl] ester
IUPAC NAME: S-[1-(tritylamino)ethyl] N-(2,6-dimethylcyclohexyl)carbamothioate
SYSTEMATIC NAME: S-[1-[(triphenylmethyl)amino]ethyl] N-(2,6-dimethylcyclohexyl)carbamothioate
MOLECULAR FORMULA: C30H36N2OS
MOLECULAR WEIGHT: 472.68464
SMILES: CC1CCCC(C1NC(=O)SC(C)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C
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Product OPENEYE NAME: S-(1-aminoethyl) carbamothioate
CAS Name: carbamothioic acid S-(1-aminoethyl) ester
IUPAC NAME: S-(1-aminoethyl) carbamothioate
SYSTEMATIC NAME: S-(1-azanylethyl) carbamothioate
MOLECULAR FORMULA: C3H8N2OS
MOLECULAR WEIGHT: 120.17342
SMILES: CC(N)SC(=O)N
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Product OPENEYE NAME: benzyl 2-ethylbenzoate
CAS Name: 2-ethylbenzoic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-ethylbenzoate
SYSTEMATIC NAME: (phenylmethyl) 2-ethylbenzoate
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: CCC1=CC=CC=C1C(=O)OCC2=CC=CC=C2
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Product OPENEYE NAME: ammonia; 1,2-dimethylcyclohexane
CAS Name: ammonia; 1,2-dimethylcyclohexane
IUPAC NAME: azane; 1,2-dimethylcyclohexane
SYSTEMATIC NAME: azane; 1,2-dimethylcyclohexane
MOLECULAR FORMULA: C8H19N
MOLECULAR WEIGHT: 129.24316
SMILES: CC1CCCCC1C.N
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Product OPENEYE NAME: S-(2-aminoethyl) 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carbothioate
CAS Name: 2-[(4-hydroxyanilino)-oxomethyl]-1-pyrrolidinecarbothioic acid S-(2-aminoethyl) ester
IUPAC NAME: S-(2-aminoethyl) 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carbothioate
SYSTEMATIC NAME: S-(2-azanylethyl) 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carbothioate
MOLECULAR FORMULA: C14H19N3O3S
MOLECULAR WEIGHT: 309.38396
SMILES: C1CC(N(C1)C(=O)SCCN)C(=O)NC2=CC=C(C=C2)O
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Product OPENEYE NAME: tert-butyl 3-(2-aminoethylsulfanylmethoxycarbonylamino)propanoate
CAS Name: 3-[[(2-aminoethylthio)methoxy-oxomethyl]amino]propanoic acid tert-butyl ester
IUPAC NAME: tert-butyl 3-(2-aminoethylsulfanylmethoxycarbonylamino)propanoate
SYSTEMATIC NAME: tert-butyl 3-(2-azanylethylsulfanylmethoxycarbonylamino)propanoate
MOLECULAR FORMULA: C11H22N2O4S
MOLECULAR WEIGHT: 278.36838
SMILES: CC(C)(C)OC(=O)CCNC(=O)OCSCCN
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Product OPENEYE NAME: methyl N-[1-(isobutylcarbamoylsulfanyl)ethyl]carbamate
CAS Name: N-[1-[[(2-methylpropylamino)-oxomethyl]thio]ethyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[1-(2-methylpropylcarbamoylsulfanyl)ethyl]carbamate
SYSTEMATIC NAME: methyl N-[1-(2-methylpropylcarbamoylsulfanyl)ethyl]carbamate
MOLECULAR FORMULA: C9H18N2O3S
MOLECULAR WEIGHT: 234.31582
SMILES: CC(C)CNC(=O)SC(C)NC(=O)OC
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Product OPENEYE NAME: [3-acetoxy-5-[5-ethynyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl acetate
CAS Name: acetic acid [3-acetyloxy-5-[5-ethynyl-2-oxo-4-(1,2,4-triazol-1-yl)-1-pyrimidinyl]-2-oxolanyl]methyl ester
IUPAC NAME: [3-acetyloxy-5-[5-ethynyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3-acetyloxy-5-[5-ethynyl-2-oxidanylidene-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C17H17N5O6
MOLECULAR WEIGHT: 387.34678
SMILES: CC(=O)OCC1C(CC(O1)N2C=C(C(=NC2=O)N3C=NC=N3)C#C)OC(=O)C
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Product OPENEYE NAME: 1-(1H-imidazol-2-yl)-2-phenyl-ethanone; nitric acid
CAS Name: 1-(1H-imidazol-2-yl)-2-phenylethanone; nitric acid
IUPAC NAME: 1-(1H-imidazol-2-yl)-2-phenylethanone; nitric acid
SYSTEMATIC NAME: 1-(1H-imidazol-2-yl)-2-phenyl-ethanone; nitric acid
MOLECULAR FORMULA: C11H11N3O4
MOLECULAR WEIGHT: 249.22274
SMILES: C1=CC=C(C=C1)CC(=O)C2=NC=CN2.[N+](=O)(O)[O-]
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Product OPENEYE NAME: 10-[(E)-[bis(4,5-dihydro-1H-imidazol-2-yl)hydrazono]methyl]anthracene-9-carbaldehyde dihydrochloride
CAS Name: 10-[(E)-[bis(4,5-dihydro-1H-imidazol-2-yl)hydrazinylidene]methyl]-9-anthracenecarboxaldehyde dihydrochloride
IUPAC NAME: 10-[(E)-[bis(4,5-dihydro-1H-imidazol-2-yl)hydrazinylidene]methyl]anthracene-9-carbaldehyde dihydrochloride
SYSTEMATIC NAME: 10-[(E)-[bis(4,5-dihydro-1H-imidazol-2-yl)hydrazinylidene]methyl]anthracene-9-carbaldehyde dihydrochloride
MOLECULAR FORMULA: C22H22Cl2N6O
MOLECULAR WEIGHT: 457.35568
SMILES: C1CN=C(N1)N(C2=NCCN2)/N=C/C3=C4C=CC=CC4=C(C5=CC=CC=C53)C=O.Cl.Cl
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Product OPENEYE NAME: 10-[(E)-[bis(4,5-dihydro-1H-imidazol-2-yl)hydrazono]methyl]anthracene-9-carbaldehyde
CAS Name: 10-[(E)-[bis(4,5-dihydro-1H-imidazol-2-yl)hydrazinylidene]methyl]-9-anthracenecarboxaldehyde
IUPAC NAME: 10-[(E)-[bis(4,5-dihydro-1H-imidazol-2-yl)hydrazinylidene]methyl]anthracene-9-carbaldehyde
SYSTEMATIC NAME: 10-[(E)-[bis(4,5-dihydro-1H-imidazol-2-yl)hydrazinylidene]methyl]anthracene-9-carbaldehyde
MOLECULAR FORMULA: C22H20N6O
MOLECULAR WEIGHT: 384.4338
SMILES: C1CN=C(N1)N(C2=NCCN2)/N=C/C3=C4C=CC=CC4=C(C5=CC=CC=C53)C=O
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Product OPENEYE NAME: 4-(1-naphthyl)-4-oxo-2-(2-phenoxyethyl)butanoic acid
CAS Name: 4-(1-naphthalenyl)-4-oxo-2-(2-phenoxyethyl)butanoic acid
IUPAC NAME: 4-naphthalen-1-yl-4-oxo-2-(2-phenoxyethyl)butanoic acid
SYSTEMATIC NAME: 4-naphthalen-1-yl-4-oxidanylidene-2-(2-phenoxyethyl)butanoic acid
MOLECULAR FORMULA: C22H20O4
MOLECULAR WEIGHT: 348.3918
SMILES: C1=CC=C(C=C1)OCCC(CC(=O)C2=CC=CC3=CC=CC=C32)C(=O)O
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