Product OPENEYE NAME: (2R,3R)-9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
CAS Name: (2R,3R)-9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
IUPAC NAME: (2R,3R)-9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
SYSTEMATIC NAME: (2R,3R)-9-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one
MOLECULAR FORMULA: C20H23ClN2O3S
MOLECULAR WEIGHT: 406.92622
SMILES: CN(C)CCN1C2=C(C(=CC=C2)Cl)S[C@@H]([C@@H](C1=O)O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: [9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
CAS Name: acetic acid [9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester
IUPAC NAME: [9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
SYSTEMATIC NAME: [9-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
MOLECULAR FORMULA: C22H25ClN2O4S
MOLECULAR WEIGHT: 448.9629
SMILES: CC(=O)OC1C(SC2=C(C=CC=C2Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: [9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate hydrochloride
CAS Name: acetic acid [9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester hydrochloride
IUPAC NAME: [9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate hydrochloride
SYSTEMATIC NAME: [9-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C22H26Cl2N2O4S
MOLECULAR WEIGHT: 485.42384
SMILES: CC(=O)OC1C(SC2=C(C=CC=C2Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
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Product OPENEYE NAME: [(2R,3R)-9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
CAS Name: acetic acid [(2R,3R)-9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester
IUPAC NAME: [(2R,3R)-9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
SYSTEMATIC NAME: [(2R,3R)-9-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
MOLECULAR FORMULA: C22H25ClN2O4S
MOLECULAR WEIGHT: 448.9629
SMILES: CC(=O)O[C@H]1[C@H](SC2=C(C=CC=C2Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 6-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
CAS Name: 6-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
IUPAC NAME: 6-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
SYSTEMATIC NAME: 6-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one
MOLECULAR FORMULA: C20H23ClN2O3S
MOLECULAR WEIGHT: 406.92622
SMILES: CN(C)CCN1C(=O)C(C(SC2=C1C(=CC=C2)Cl)C3=CC=C(C=C3)OC)O
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Product OPENEYE NAME: 6-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
CAS Name: 6-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
IUPAC NAME: 6-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
SYSTEMATIC NAME: 6-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
MOLECULAR FORMULA: C20H24Cl2N2O3S
MOLECULAR WEIGHT: 443.38716
SMILES: CN(C)CCN1C(=O)C(C(SC2=C1C(=CC=C2)Cl)C3=CC=C(C=C3)OC)O.Cl
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Product OPENEYE NAME: [6-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
CAS Name: acetic acid [6-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester
IUPAC NAME: [6-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
SYSTEMATIC NAME: [6-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
MOLECULAR FORMULA: C22H25ClN2O4S
MOLECULAR WEIGHT: 448.9629
SMILES: CC(=O)OC1C(SC2=C(C(=CC=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: [6-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate hydrochloride
CAS Name: acetic acid [6-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester hydrochloride
IUPAC NAME: [6-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate hydrochloride
SYSTEMATIC NAME: [6-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C22H26Cl2N2O4S
MOLECULAR WEIGHT: 485.42384
SMILES: CC(=O)OC1C(SC2=C(C(=CC=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
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Product OPENEYE NAME: [9-chloro-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate
CAS Name: acetic acid [9-chloro-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester
IUPAC NAME: [9-chloro-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate
SYSTEMATIC NAME: [9-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ethanoate
MOLECULAR FORMULA: C18H16ClNO4S
MOLECULAR WEIGHT: 377.84194
SMILES: CC(=O)OC1C(SC2=C(C=CC=C2Cl)NC1=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: (2-acetamidophenyl) diethyl phosphate
CAS Name: phosphoric acid (2-acetamidophenyl) diethyl ester
IUPAC NAME: (2-acetamidophenyl) diethyl phosphate
SYSTEMATIC NAME: (2-acetamidophenyl) diethyl phosphate
MOLECULAR FORMULA: C12H18NO5P
MOLECULAR WEIGHT: 287.248781
SMILES: CCOP(=O)(OCC)OC1=CC=CC=C1NC(=O)C
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Product OPENEYE NAME: 3-diisopropoxyphosphorylaniline
CAS Name: 3-di(propan-2-yloxy)phosphorylaniline
IUPAC NAME: 3-di(propan-2-yloxy)phosphorylaniline
SYSTEMATIC NAME: 3-di(propan-2-yloxy)phosphorylaniline
MOLECULAR FORMULA: C12H20NO3P
MOLECULAR WEIGHT: 257.265861
SMILES: CC(C)OP(=O)(C1=CC=CC(=C1)N)OC(C)C
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Product OPENEYE NAME: methyl 1-[(2-nitrophenyl)methyl]pyrrole-2-carboxylate
CAS Name: 1-[(2-nitrophenyl)methyl]-2-pyrrolecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2-nitrophenyl)methyl]pyrrole-2-carboxylate
SYSTEMATIC NAME: methyl 1-[(2-nitrophenyl)methyl]pyrrole-2-carboxylate
MOLECULAR FORMULA: C13H12N2O4
MOLECULAR WEIGHT: 260.24538
SMILES: COC(=O)C1=CC=CN1CC2=CC=CC=C2[N+](=O)[O-]
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Product OPENEYE NAME: methyl 1-[(2-aminophenyl)methyl]pyrrole-2-carboxylate
CAS Name: 1-[(2-aminophenyl)methyl]-2-pyrrolecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2-aminophenyl)methyl]pyrrole-2-carboxylate
SYSTEMATIC NAME: methyl 1-[(2-aminophenyl)methyl]pyrrole-2-carboxylate
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: COC(=O)C1=CC=CN1CC2=CC=CC=C2N
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Product OPENEYE NAME: 6-chloro-11H-pyrrolo[2,1-c][1,4]benzodiazepine
CAS Name: 6-chloro-11H-pyrrolo[2,1-c][1,4]benzodiazepine
IUPAC NAME: 6-chloro-11H-pyrrolo[2,1-c][1,4]benzodiazepine
SYSTEMATIC NAME: 6-chloranyl-11H-pyrrolo[2,1-c][1,4]benzodiazepine
MOLECULAR FORMULA: C12H9ClN2
MOLECULAR WEIGHT: 216.66626
SMILES: C1C2=CC=CC=C2N=C(C3=CC=CN31)Cl
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C18H13N5
MOLECULAR WEIGHT: 299.32932
SMILES: C1C2=CC=CC=C2N3C(=NN=C3C4=CC=CN41)C5=CC=CC=N5
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MOLECULAR FORMULA: C18H14ClN5
MOLECULAR WEIGHT: 335.79026
SMILES: C1C2=CC=CC=C2N3C(=NN=C3C4=CC=CN41)C5=CC=CC=N5.Cl
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MOLECULAR FORMULA: C18H12ClN5
MOLECULAR WEIGHT: 333.77438
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=N5
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MOLECULAR FORMULA: C18H13Cl2N5
MOLECULAR WEIGHT: 370.23532
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=N5.Cl
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MOLECULAR FORMULA: C19H12F3N5
MOLECULAR WEIGHT: 367.32729
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=N5
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MOLECULAR FORMULA: C19H13ClF3N5
MOLECULAR WEIGHT: 403.78823
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=N5.Cl
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