Product OPENEYE NAME: benzhydryl 7-[[(2E)-2-(2-aminooxazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-[[(2E)-2-(2-amino-4-oxazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 7-[[(2E)-2-(2-amino-1,3-oxazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C26H23N5O6S
MOLECULAR WEIGHT: 533.55572
SMILES: CO/N=C(\C1=COC(=N1)N)/C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 3-isopropylisothiazole
CAS Name: 3-propan-2-ylisothiazole
IUPAC NAME: 3-propan-2-yl-1,2-thiazole
SYSTEMATIC NAME: 3-propan-2-yl-1,2-thiazole
MOLECULAR FORMULA: C6H9NS
MOLECULAR WEIGHT: 127.20736
SMILES: CC(C)C1=NSC=C1
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Product OPENEYE NAME: 7-[[(2E)-2-(2-aminooxazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2E)-2-(2-amino-4-oxazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-oxazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[2-methyl-5,6-bis(oxidanylidene)-1H-1,2,4-triazin-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C18H18N8O8S2
MOLECULAR WEIGHT: 538.51432
SMILES: CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC)/C4=COC(=N4)N)SC2)C(=O)O
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Product OPENEYE NAME: [amino(methylsulfanyl)methylene]-(2-benzylindazol-4-yl)ammonium iodide
CAS Name: [amino-(methylthio)methylidene]-[2-(phenylmethyl)-4-indazolyl]ammonium iodide
IUPAC NAME: [amino(methylsulfanyl)methylidene]-(2-benzylindazol-4-yl)azanium iodide
SYSTEMATIC NAME: [azanyl(methylsulfanyl)methylidene]-[2-(phenylmethyl)indazol-4-yl]azanium iodide
MOLECULAR FORMULA: C16H17IN4S
MOLECULAR WEIGHT: 424.30245
SMILES: CSC(=[NH+]C1=CC=CC2=NN(C=C21)CC3=CC=CC=C3)N.[I-]
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Product OPENEYE NAME: 3-(2-benzylindazol-4-yl)-2-methyl-isothiourea
CAS Name: N'-[2-(phenylmethyl)-4-indazolyl]carbamimidothioic acid methyl ester
IUPAC NAME: methyl N'-(2-benzylindazol-4-yl)carbamimidothioate
SYSTEMATIC NAME: methyl N'-[2-(phenylmethyl)indazol-4-yl]carbamimidothioate
MOLECULAR FORMULA: C16H16N4S
MOLECULAR WEIGHT: 296.39004
SMILES: CSC(=NC1=CC=CC2=NN(C=C21)CC3=CC=CC=C3)N
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Product OPENEYE NAME: 2-cyclohexa-1,3-dien-1-yl-4,5-dihydro-1H-imidazole
CAS Name: 2-(1-cyclohexa-1,3-dienyl)-4,5-dihydro-1H-imidazole
IUPAC NAME: 2-cyclohexa-1,3-dien-1-yl-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-cyclohexa-1,3-dien-1-yl-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C9H12N2
MOLECULAR WEIGHT: 148.20498
SMILES: C1CC(=CC=C1)C2=NCCN2
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Product OPENEYE NAME: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanimidate hydrochloride
CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanimidate hydrochloride
IUPAC NAME: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanimidate hydrochloride
SYSTEMATIC NAME: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanimidate hydrochloride
MOLECULAR FORMULA: C11H13ClNO3-
MOLECULAR WEIGHT: 242.67882
SMILES: C1C(OC2=CC=CC=C2O1)CCC(=N)[O-].Cl
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Product OPENEYE NAME: 3-propyl-2,3-dihydro-1,4-benzodioxine
CAS Name: 3-propyl-2,3-dihydro-1,4-benzodioxin
IUPAC NAME: 3-propyl-2,3-dihydro-1,4-benzodioxine
SYSTEMATIC NAME: 3-propyl-2,3-dihydro-1,4-benzodioxine
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CCCC1COC2=CC=CC=C2O1
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Product OPENEYE NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole dihydrochloride
CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole dihydrochloride
IUPAC NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole dihydrochloride
SYSTEMATIC NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole dihydrochloride
MOLECULAR FORMULA: C11H14Cl2N2O2
MOLECULAR WEIGHT: 277.14706
SMILES: C1CN=C(N1)C2COC3=CC=CC=C3O2.Cl.Cl
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Product OPENEYE NAME: acetic acid; 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
CAS Name: acetic acid; 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
IUPAC NAME: acetic acid; 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole; ethanoic acid
MOLECULAR FORMULA: C13H16N2O4
MOLECULAR WEIGHT: 264.27714
SMILES: CC(=O)O.C1CN=C(N1)C2COC3=CC=CC=C3O2
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Product OPENEYE NAME: 4-(2,3-dihydro-1,4-benzodioxin-3-yl)butanenitrile
CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-3-yl)butanenitrile
IUPAC NAME: 4-(2,3-dihydro-1,4-benzodioxin-3-yl)butanenitrile
SYSTEMATIC NAME: 4-(2,3-dihydro-1,4-benzodioxin-3-yl)butanenitrile
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: C1C(OC2=CC=CC=C2O1)CCCC#N
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Product OPENEYE NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-4,5-dihydroimidazole
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-4,5-dihydroimidazole
IUPAC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-4,5-dihydroimidazole
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-4,5-dihydroimidazole
MOLECULAR FORMULA: C17H16N2O2
MOLECULAR WEIGHT: 280.32114
SMILES: C1C(N=CN1C2COC3=CC=CC=C3O2)C4=CC=CC=C4
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Product OPENEYE NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenyl-4,5-dihydroimidazole
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenyl-4,5-dihydroimidazole
IUPAC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenyl-4,5-dihydroimidazole
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenyl-4,5-dihydroimidazole
MOLECULAR FORMULA: C18H18N2O2
MOLECULAR WEIGHT: 294.34772
SMILES: C1C(N=CN1CC2COC3=CC=CC=C3O2)C4=CC=CC=C4
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Product OPENEYE NAME: ethylene; 5-methyl-1H-indole
CAS Name: ethene; 5-methyl-1H-indole
IUPAC NAME: ethene; 5-methyl-1H-indole
SYSTEMATIC NAME: ethene; 5-methyl-1H-indole
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CC1=CC2=C(C=C1)NC=C2.C=C
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Product OPENEYE NAME: N,N-dimethylmethanamine; 1-methylpyrrolidin-2-one
CAS Name: N,N-dimethylmethanamine; 1-methyl-2-pyrrolidinone
IUPAC NAME: N,N-dimethylmethanamine; 1-methylpyrrolidin-2-one
SYSTEMATIC NAME: N,N-dimethylmethanamine; 1-methylpyrrolidin-2-one
MOLECULAR FORMULA: C8H18N2O
MOLECULAR WEIGHT: 158.24132
SMILES: CN1CCCC1=O.CN(C)C
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