Product OPENEYE NAME: 5-oxo-1-(2-phenylethyl)pyrrolidine-2-carbonyl chloride
CAS Name: 5-oxo-1-(2-phenylethyl)-2-pyrrolidinecarbonyl chloride
IUPAC NAME: 5-oxo-1-(2-phenylethyl)pyrrolidine-2-carbonyl chloride
SYSTEMATIC NAME: 5-oxidanylidene-1-(2-phenylethyl)pyrrolidine-2-carbonyl chloride
MOLECULAR FORMULA: C13H14ClNO2
MOLECULAR WEIGHT: 251.70876
SMILES: C1CC(=O)N(C1C(=O)Cl)CCC2=CC=CC=C2
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Product OPENEYE NAME: ethyl 5-chlorosulfonyl-2-methyl-1H-pyrazol-2-ium-4-carboxylate
CAS Name: 5-chlorosulfonyl-2-methyl-1H-pyrazol-2-ium-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 5-chlorosulfonyl-2-methyl-1H-pyrazol-2-ium-4-carboxylate
SYSTEMATIC NAME: ethyl 5-chloranylsulfonyl-2-methyl-1H-pyrazol-2-ium-4-carboxylate
MOLECULAR FORMULA: C7H10ClN2O4S+
MOLECULAR WEIGHT: 253.6833
SMILES: CCOC(=O)C1=C(N[N+](=C1)C)S(=O)(=O)Cl
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Product OPENEYE NAME: 4-oxo-2-phenyl-chromen-5-olate
CAS Name: 4-oxo-2-phenyl-1-benzopyran-5-olate
IUPAC NAME: 4-oxo-2-phenylchromen-5-olate
SYSTEMATIC NAME: 4-oxidanylidene-2-phenyl-chromen-5-olate
MOLECULAR FORMULA: C15H9O3-
MOLECULAR WEIGHT: 237.23016
SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=CC=C3O2)[O-]
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Product OPENEYE NAME: 2-(4-methoxyphenyl)-4-oxo-chromen-5-olate
CAS Name: 2-(4-methoxyphenyl)-4-oxo-1-benzopyran-5-olate
IUPAC NAME: 2-(4-methoxyphenyl)-4-oxochromen-5-olate
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-4-oxidanylidene-chromen-5-olate
MOLECULAR FORMULA: C16H11O4-
MOLECULAR WEIGHT: 267.25614
SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=CC=C3O2)[O-]
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Product OPENEYE NAME: 7-methoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-olate
CAS Name: 7-methoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-5-olate
IUPAC NAME: 7-methoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-olate
SYSTEMATIC NAME: 7-methoxy-4-oxidanylidene-2-(3,4,5-trimethoxyphenyl)chromen-5-olate
MOLECULAR FORMULA: C19H17O7-
MOLECULAR WEIGHT: 357.33408
SMILES: COC1=CC2=C(C(=C1)[O-])C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)OC
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Product OPENEYE NAME: N-(1,2-dimethylprop-1-enyl)acetamide
CAS Name: N-(3-methylbut-2-en-2-yl)acetamide
IUPAC NAME: N-(3-methylbut-2-en-2-yl)acetamide
SYSTEMATIC NAME: N-(3-methylbut-2-en-2-yl)ethanamide
MOLECULAR FORMULA: C7H13NO
MOLECULAR WEIGHT: 127.18422
SMILES: CC(=C(C)NC(=O)C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H25N5O6
MOLECULAR WEIGHT: 467.4745
SMILES: CC\1=C(C2=C([C@H]([C@@]3(N2C[C@H]4[C@@H]3N4)OC)COC(=O)N)C(=O)/C1=N\NC(=O)C5=CC=CC=C5)OC
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Product OPENEYE NAME: O-methyl N-(4-oxo-2,3-dihydropyrido[1,2-a]pyrimidin-3-yl)carbamothioate
CAS Name: N-(4-oxo-2,3-dihydropyrido[1,2-a]pyrimidin-3-yl)carbamothioic acid O-methyl ester
IUPAC NAME: O-methyl N-(4-oxo-2,3-dihydropyrido[1,2-a]pyrimidin-3-yl)carbamothioate
SYSTEMATIC NAME: O-methyl N-(4-oxidanylidene-2,3-dihydropyrido[1,2-a]pyrimidin-3-yl)carbamothioate
MOLECULAR FORMULA: C10H11N3O2S
MOLECULAR WEIGHT: 237.27824
SMILES: COC(=S)NC1CN=C2C=CC=CN2C1=O
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Product OPENEYE NAME: methyl 3-(methoxycarbothioylamino)-4-oxo-quinolizine-1-carboxylate
CAS Name: 3-[[methoxy(sulfanylidene)methyl]amino]-4-oxo-1-quinolizinecarboxylic acid methyl ester
IUPAC NAME: methyl 3-(methoxycarbothioylamino)-4-oxoquinolizine-1-carboxylate
SYSTEMATIC NAME: methyl 3-(methoxycarbothioylamino)-4-oxidanylidene-quinolizine-1-carboxylate
MOLECULAR FORMULA: C13H12N2O4S
MOLECULAR WEIGHT: 292.31038
SMILES: COC(=O)C1=C2C=CC=CN2C(=O)C(=C1)NC(=S)OC
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Product OPENEYE NAME: methyl 3-benzamido-4-oxo-quinolizine-1-carboxylate
CAS Name: 3-benzamido-4-oxo-1-quinolizinecarboxylic acid methyl ester
IUPAC NAME: methyl 3-benzamido-4-oxoquinolizine-1-carboxylate
SYSTEMATIC NAME: methyl 3-benzamido-4-oxidanylidene-quinolizine-1-carboxylate
MOLECULAR FORMULA: C18H14N2O4
MOLECULAR WEIGHT: 322.31476
SMILES: COC(=O)C1=C2C=CC=CN2C(=O)C(=C1)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl 2-(methoxycarbothioylamino)acetate
CAS Name: 2-[[methoxy(sulfanylidene)methyl]amino]acetic acid ethyl ester
IUPAC NAME: ethyl 2-(methoxycarbothioylamino)acetate
SYSTEMATIC NAME: ethyl 2-(methoxycarbothioylamino)ethanoate
MOLECULAR FORMULA: C6H11NO3S
MOLECULAR WEIGHT: 177.22144
SMILES: CCOC(=O)CNC(=S)OC
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Product OPENEYE NAME: (4E)-4-(ethoxymethylene)-2-methoxy-thiazol-5-one
CAS Name: (4E)-4-(ethoxymethylidene)-2-methoxy-5-thiazolone
IUPAC NAME: (4E)-4-(ethoxymethylidene)-2-methoxy-1,3-thiazol-5-one
SYSTEMATIC NAME: (4E)-4-(ethoxymethylidene)-2-methoxy-1,3-thiazol-5-one
MOLECULAR FORMULA: C7H9NO3S
MOLECULAR WEIGHT: 187.21626
SMILES: CCO/C=C/1\C(=O)SC(=N1)OC
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Product OPENEYE NAME: 2,2,2-trifluoro-N-[2-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide
CAS Name: 2,2,2-trifluoro-N-[2-[(E)-1-oxo-3-phenylprop-2-enyl]phenyl]acetamide
IUPAC NAME: 2,2,2-trifluoro-N-[2-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-[2-[(E)-3-phenylprop-2-enoyl]phenyl]ethanamide
MOLECULAR FORMULA: C17H12F3NO2
MOLECULAR WEIGHT: 319.27789
SMILES: C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2NC(=O)C(F)(F)F
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Product OPENEYE NAME: ethyl 2-bromo-4-methyl-benzoate
CAS Name: 2-bromo-4-methylbenzoic acid ethyl ester
IUPAC NAME: ethyl 2-bromo-4-methylbenzoate
SYSTEMATIC NAME: ethyl 2-bromanyl-4-methyl-benzoate
MOLECULAR FORMULA: C10H11BrO2
MOLECULAR WEIGHT: 243.09714
SMILES: CCOC(=O)C1=C(C=C(C=C1)C)Br
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Product OPENEYE NAME: ethyl 2-bromo-3-methyl-benzoate
CAS Name: 2-bromo-3-methylbenzoic acid ethyl ester
IUPAC NAME: ethyl 2-bromo-3-methylbenzoate
SYSTEMATIC NAME: ethyl 2-bromanyl-3-methyl-benzoate
MOLECULAR FORMULA: C10H11BrO2
MOLECULAR WEIGHT: 243.09714
SMILES: CCOC(=O)C1=C(C(=CC=C1)C)Br
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Product OPENEYE NAME: ethyl 4-methyl-2-[(E)-styryl]benzoate
CAS Name: 4-methyl-2-[(E)-2-phenylethenyl]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-methyl-2-[(E)-2-phenylethenyl]benzoate
SYSTEMATIC NAME: ethyl 4-methyl-2-[(E)-2-phenylethenyl]benzoate
MOLECULAR FORMULA: C18H18O2
MOLECULAR WEIGHT: 266.33432
SMILES: CCOC(=O)C1=C(C=C(C=C1)C)/C=C/C2=CC=CC=C2
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Product OPENEYE NAME: ethyl 3-methyl-2-[(E)-styryl]benzoate
CAS Name: 3-methyl-2-[(E)-2-phenylethenyl]benzoic acid ethyl ester
IUPAC NAME: ethyl 3-methyl-2-[(E)-2-phenylethenyl]benzoate
SYSTEMATIC NAME: ethyl 3-methyl-2-[(E)-2-phenylethenyl]benzoate
MOLECULAR FORMULA: C18H18O2
MOLECULAR WEIGHT: 266.33432
SMILES: CCOC(=O)C1=C(C(=CC=C1)C)/C=C/C2=CC=CC=C2
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Product OPENEYE NAME: methyl 4-chloro-2-[(E)-styryl]benzoate
CAS Name: 4-chloro-2-[(E)-2-phenylethenyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-chloro-2-[(E)-2-phenylethenyl]benzoate
SYSTEMATIC NAME: methyl 4-chloranyl-2-[(E)-2-phenylethenyl]benzoate
MOLECULAR FORMULA: C16H13ClO2
MOLECULAR WEIGHT: 272.72622
SMILES: COC(=O)C1=C(C=C(C=C1)Cl)/C=C/C2=CC=CC=C2
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Product OPENEYE NAME: dimethyl 4-[(E)-styryl]benzene-1,3-dicarboxylate
CAS Name: 4-[(E)-2-phenylethenyl]benzene-1,3-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 4-[(E)-2-phenylethenyl]benzene-1,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 4-[(E)-2-phenylethenyl]benzene-1,3-dicarboxylate
MOLECULAR FORMULA: C18H16O4
MOLECULAR WEIGHT: 296.31724
SMILES: COC(=O)C1=CC(=C(C=C1)/C=C/C2=CC=CC=C2)C(=O)OC
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Product OPENEYE NAME: (3R,4S)-3-phenyl-4-phenylselanyl-isochroman-1-one
CAS Name: (3R,4S)-3-phenyl-4-(phenylseleno)-3,4-dihydro-1H-2-benzopyran-1-one
IUPAC NAME: (3R,4S)-3-phenyl-4-phenylselanyl-3,4-dihydroisochromen-1-one
SYSTEMATIC NAME: (3R,4S)-3-phenyl-4-phenylselanyl-3,4-dihydroisochromen-1-one
MOLECULAR FORMULA: C21H16O2Se
MOLECULAR WEIGHT: 379.31054
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](C3=CC=CC=C3C(=O)O2)[Se]C4=CC=CC=C4
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Product OPENEYE NAME: (3R,4S)-6-methyl-3-phenyl-4-phenylselanyl-isochroman-1-one
CAS Name: (3R,4S)-6-methyl-3-phenyl-4-(phenylseleno)-3,4-dihydro-1H-2-benzopyran-1-one
IUPAC NAME: (3R,4S)-6-methyl-3-phenyl-4-phenylselanyl-3,4-dihydroisochromen-1-one
SYSTEMATIC NAME: (3R,4S)-6-methyl-3-phenyl-4-phenylselanyl-3,4-dihydroisochromen-1-one
MOLECULAR FORMULA: C22H18O2Se
MOLECULAR WEIGHT: 393.33712
SMILES: CC1=CC2=C(C=C1)C(=O)O[C@@H]([C@H]2[Se]C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (3R,4S)-5-methyl-3-phenyl-4-phenylselanyl-isochroman-1-one
CAS Name: (3R,4S)-5-methyl-3-phenyl-4-(phenylseleno)-3,4-dihydro-1H-2-benzopyran-1-one
IUPAC NAME: (3R,4S)-5-methyl-3-phenyl-4-phenylselanyl-3,4-dihydroisochromen-1-one
SYSTEMATIC NAME: (3R,4S)-5-methyl-3-phenyl-4-phenylselanyl-3,4-dihydroisochromen-1-one
MOLECULAR FORMULA: C22H18O2Se
MOLECULAR WEIGHT: 393.33712
SMILES: CC1=CC=CC2=C1[C@@H]([C@H](OC2=O)C3=CC=CC=C3)[Se]C4=CC=CC=C4
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Product OPENEYE NAME: (3R,4S)-6-chloro-3-phenyl-4-phenylselanyl-isochroman-1-one
CAS Name: (3R,4S)-6-chloro-3-phenyl-4-(phenylseleno)-3,4-dihydro-1H-2-benzopyran-1-one
IUPAC NAME: (3R,4S)-6-chloro-3-phenyl-4-phenylselanyl-3,4-dihydroisochromen-1-one
SYSTEMATIC NAME: (3R,4S)-6-chloranyl-3-phenyl-4-phenylselanyl-3,4-dihydroisochromen-1-one
MOLECULAR FORMULA: C21H15ClO2Se
MOLECULAR WEIGHT: 413.7556
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](C3=C(C=CC(=C3)Cl)C(=O)O2)[Se]C4=CC=CC=C4
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