CAS RN: 62279-93-0
CAS Name: 2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acid
OPENEYE Name: 2-[(1R,3R)-3-acetyl-2,2-dimethyl-cyclobutyl]acetic acid
IUPAC Name: 2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acid
SYSTEMATIC NAME: 2-[(1R,3R)-3-ethanoyl-2,2-dimethyl-cyclobutyl]ethanoic acid
MOLECULAR FORMULA: C10H16O3
MOLECULAR WEIGHT: 184.23224
SMILES: CC(=O)[C@@H]1C[C@@H](C1(C)C)CC(=O)O
Structure:
CAS RN: 5984-08-7
CAS Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
IUPAC Name: ethyl 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
SYSTEMATIC NAME: ethyl 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate
MOLECULAR FORMULA: C12H14N2O3S2
MOLECULAR WEIGHT: 298.38116
SMILES: CCOC(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1
Structure:
CAS RN: 3326-63-4
CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxamide
OPENEYE Name: (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
IUPAC Name: (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: C1[C@@H](OC2=CC=CC=C2O1)C(=O)N
Structure:
CAS RN: 33070-04-1
CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxamide
OPENEYE Name: (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
IUPAC Name: (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: C1[C@@H](OC2=CC=CC=C2O1)C(=O)N
Structure:
CAS RN: 33265-79-1
CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxamide
OPENEYE Name: (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
IUPAC Name: (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: C1[C@H](OC2=CC=CC=C2O1)C(=O)N
Structure:
CAS RN: 33070-04-1
CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxamide
OPENEYE Name: (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
IUPAC Name: (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: C1[C@H](OC2=CC=CC=C2O1)C(=O)N
Structure:
CAS RN: 55040-11-4
CAS Name: 2-(4-quinazolinylamino)acetic acid
OPENEYE Name: 2-(quinazolin-4-ylamino)acetic acid
IUPAC Name: 2-(quinazolin-4-ylamino)acetic acid
SYSTEMATIC NAME: 2-(quinazolin-4-ylamino)ethanoic acid
MOLECULAR FORMULA: C10H9N3O2
MOLECULAR WEIGHT: 203.19736
SMILES: C1=CC=C2C(=C1)C(=NC=N2)NCC(=O)O
Structure:
CAS RN: 5694-42-8
CAS Name: 4,5-dimethyl-2-[[oxo(3-pyridinyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
IUPAC Name: ethyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 4,5-dimethyl-2-(pyridin-3-ylcarbonylamino)thiophene-3-carboxylate
MOLECULAR FORMULA: C15H16N2O3S
MOLECULAR WEIGHT: 304.36414
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CN=CC=C2
Structure:
CAS RN: 15854-12-3
CAS Name: 2-amino-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
IUPAC Name: ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C15H17NO4S
MOLECULAR WEIGHT: 307.36478
SMILES: CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)N
Structure:
CAS RN: 59829-80-0
CAS Name: 2-[[3-(4-chlorophenyl)-4-oxo-1-benzopyran-7-yl]oxy]acetic acid
OPENEYE Name: 2-[3-(4-chlorophenyl)-4-oxo-chromen-7-yl]oxyacetic acid
IUPAC Name: 2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxyacetic acid
SYSTEMATIC NAME: 2-[3-(4-chlorophenyl)-4-oxidanylidene-chromen-7-yl]oxyethanoic acid
MOLECULAR FORMULA: C17H11ClO5
MOLECULAR WEIGHT: 330.71924
SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OCC(=O)O)Cl
Structure:
CAS RN: 5989-76-4
CAS Name: (E)-3-(3-bromo-4-methoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one
OPENEYE Name: (E)-3-(3-bromo-4-methoxy-phenyl)-1-morpholino-prop-2-en-1-one
IUPAC Name: (E)-3-(3-bromo-4-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(3-bromanyl-4-methoxy-phenyl)-1-morpholin-4-yl-prop-2-en-1-one
MOLECULAR FORMULA: C14H16BrNO3
MOLECULAR WEIGHT: 326.18574
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)N2CCOCC2)Br
Structure:
CAS RN: 5332-64-9
CAS Name: 2-(4-bromo-3-methylphenoxy)-N-(2,3-dimethylphenyl)acetamide
OPENEYE Name: 2-(4-bromo-3-methyl-phenoxy)-N-(2,3-dimethylphenyl)acetamide
IUPAC Name: 2-(4-bromo-3-methylphenoxy)-N-(2,3-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-(4-bromanyl-3-methyl-phenoxy)-N-(2,3-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C17H18BrNO2
MOLECULAR WEIGHT: 348.23432
SMILES: CC1=C(C(=CC=C1)NC(=O)COC2=CC(=C(C=C2)Br)C)C
Structure:
CAS RN: 52011-52-6
CAS Name: 1,6-dimethyl-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 1,6-dimethyl-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 1,6-dimethyl-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1,6-dimethyl-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C12H11NO3
MOLECULAR WEIGHT: 217.22064
SMILES: CC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)O)C
Structure:
CAS RN: 40359-59-9
CAS Name: 2-[(3-chlorophenyl)methoxy]benzaldehyde
OPENEYE Name: 2-[(3-chlorophenyl)methoxy]benzaldehyde
IUPAC Name: 2-[(3-chlorophenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 2-[(3-chlorophenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C14H11ClO2
MOLECULAR WEIGHT: 246.68894
SMILES: C1=CC=C(C(=C1)C=O)OCC2=CC(=CC=C2)Cl
Structure:
CAS RN: 36847-97-9
CAS Name: (E)-4-[2-[[(E)-3-carboxy-1-oxoprop-2-enyl]amino]anilino]-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-[2-[[(E)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-[2-[[(E)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-oxidanylidene-4-[[2-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]phenyl]amino]but-2-enoic acid
MOLECULAR FORMULA: C14H12N2O6
MOLECULAR WEIGHT: 304.25488
SMILES: C1=CC=C(C(=C1)NC(=O)/C=C/C(=O)O)NC(=O)/C=C/C(=O)O
Structure:
CAS RN: 56964-85-3
CAS Name: 2-furanylmethylthiourea
OPENEYE Name: 2-furylmethylthiourea
IUPAC Name: furan-2-ylmethylthiourea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)thiourea
MOLECULAR FORMULA: C6H8N2OS
MOLECULAR WEIGHT: 156.20552
SMILES: C1=COC(=C1)CNC(=S)N
Structure:
CAS RN: 106820-63-7
CAS Name: 3-[(2-methoxy-2-oxoethyl)sulfamoyl]-2-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 3-[(2-methoxy-2-oxo-ethyl)sulfamoyl]thiophene-2-carboxylate
IUPAC Name: methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[(2-methoxy-2-oxidanylidene-ethyl)sulfamoyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C9H11NO6S2
MOLECULAR WEIGHT: 293.31674
SMILES: COC(=O)CNS(=O)(=O)C1=C(SC=C1)C(=O)OC
Structure:
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