CAS RN: 56377-58-3
CAS Name: 2-chloroethanethioic acid S-(phenylmethyl) ester
OPENEYE Name: S-benzyl 2-chloroethanethioate
IUPAC Name: S-benzyl 2-chloroethanethioate
SYSTEMATIC NAME: S-(phenylmethyl) 2-chloranylethanethioate
MOLECULAR FORMULA: C9H9ClOS
MOLECULAR WEIGHT: 200.68516
SMILES: C1=CC=C(C=C1)CSC(=O)CCl
Structure:
CAS RN: 56377-45-8
CAS Name: 2-chloroethanethioic acid S-tert-butyl ester
OPENEYE Name: S-tert-butyl 2-chloroethanethioate
IUPAC Name: S-tert-butyl 2-chloroethanethioate
SYSTEMATIC NAME: S-tert-butyl 2-chloranylethanethioate
MOLECULAR FORMULA: C6H11ClOS
MOLECULAR WEIGHT: 166.66894
SMILES: CC(C)(C)SC(=O)CCl
Structure:
CAS RN: 58058-56-3
CAS Name: cyclopropanecarbothioic acid S-tert-butyl ester
OPENEYE Name: S-tert-butyl cyclopropanecarbothioate
IUPAC Name: S-tert-butyl cyclopropanecarbothioate
SYSTEMATIC NAME: S-tert-butyl cyclopropanecarbothioate
MOLECULAR FORMULA: C8H14OS
MOLECULAR WEIGHT: 158.26116
SMILES: CC(C)(C)SC(=O)C1CC1
Structure:
CAS RN: 59090-52-7
CAS Name: N-[[1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2,4-dioxo-5-pyrimidinyl]methyl]-2-iodoacetamide
OPENEYE Name: N-[[1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]methyl]-2-iodo-acetamide
IUPAC Name: N-[[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2-iodoacetamide
SYSTEMATIC NAME: N-[[1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]methyl]-2-iodanyl-ethanamide
MOLECULAR FORMULA: C12H16IN3O6
MOLECULAR WEIGHT: 425.17641
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)CNC(=O)CI)CO)O
Structure:
CAS RN: 59090-51-6
CAS Name: 2-chloro-N-[[1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2,4-dioxo-5-pyrimidinyl]methyl]acetamide
OPENEYE Name: 2-chloro-N-[[1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]methyl]acetamide
IUPAC Name: 2-chloro-N-[[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide
SYSTEMATIC NAME: 2-chloranyl-N-[[1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]methyl]ethanamide
MOLECULAR FORMULA: C12H16ClN3O6
MOLECULAR WEIGHT: 333.72494
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)CNC(=O)CCl)CO)O
Structure:
CAS RN: 59090-53-8
CAS Name: 5-(1,3-dithiolan-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(1,3-dithiolan-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-(1,3-dithiolan-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(1,3-dithiolan-2-yl)-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H16N2O5S2
MOLECULAR WEIGHT: 332.39584
SMILES: C1CSC(S1)C2=CN(C(=O)NC2=O)C3CC(C(O3)CO)O
Structure:
CAS RN: 41459-42-1
CAS Name: 3-bromo-2-(bromomethyl)propanoic acid
OPENEYE Name: 3-bromo-2-(bromomethyl)propanoic acid
IUPAC Name: 3-bromo-2-(bromomethyl)propanoic acid
SYSTEMATIC NAME: 3-bromanyl-2-(bromomethyl)propanoic acid
MOLECULAR FORMULA: C4H6Br2O2
MOLECULAR WEIGHT: 245.89724
SMILES: C(C(CBr)C(=O)O)Br
Structure:
CAS RN: 69630-20-2
CAS Name: 4-morpholinecarboxylic acid phenyl ester
OPENEYE Name: phenyl morpholine-4-carboxylate
IUPAC Name: phenyl morpholine-4-carboxylate
SYSTEMATIC NAME: phenyl morpholine-4-carboxylate
MOLECULAR FORMULA: C11H13NO3
MOLECULAR WEIGHT: 207.22582
SMILES: C1COCCN1C(=O)OC2=CC=CC=C2
Structure:
CAS RN: 18649-69-9
CAS Name: 3-bromo-2-hydroperoxy-2-methylbutane
OPENEYE Name: 3-bromo-2-hydroperoxy-2-methyl-butane
IUPAC Name: 3-bromo-2-hydroperoxy-2-methylbutane
SYSTEMATIC NAME: 3-bromanyl-2-(dioxidanyl)-2-methyl-butane
MOLECULAR FORMULA: C5H11BrO2
MOLECULAR WEIGHT: 183.04364
SMILES: CC(C(C)(C)OO)Br
Structure:
CAS RN: 33973-62-5
CAS Name: 1,1'-spirobi[2,1$l^{4}-benzoxathiole]-3,3'-dione
OPENEYE Name: 1,1'-spirobi[2,1$l^{4}-benzoxathiole]-3,3'-dione
IUPAC Name: 1,1'-spirobi[2,1$l^{4}-benzoxathiole]-3,3'-dione
SYSTEMATIC NAME: 1,1'-spirobi[2,1$l^{4}-benzoxathiole]-3,3'-dione
MOLECULAR FORMULA: C14H8O4S
MOLECULAR WEIGHT: 272.27592
SMILES: C1=CC=C2C(=C1)C(=O)OS23C4=CC=CC=C4C(=O)O3
Structure:
CAS RN: 28715-70-0
CAS Name: benzenesulfenic acid methyl ester
OPENEYE Name: methoxysulfanylbenzene
IUPAC Name: methoxysulfanylbenzene
SYSTEMATIC NAME: methoxysulfanylbenzene
MOLECULAR FORMULA: C7H8OS
MOLECULAR WEIGHT: 140.20282
SMILES: COSC1=CC=CC=C1
Structure:
CAS RN: 61665-77-8
CAS Name: benzenesulfenic acid 2,2-dimethylpropyl ester
OPENEYE Name: 2,2-dimethylpropoxysulfanylbenzene
IUPAC Name: 2,2-dimethylpropoxysulfanylbenzene
SYSTEMATIC NAME: 2,2-dimethylpropoxysulfanylbenzene
MOLECULAR FORMULA: C11H16OS
MOLECULAR WEIGHT: 196.30914
SMILES: CC(C)(C)COSC1=CC=CC=C1
Structure:
CAS RN: 22484-46-4
CAS Name: 5,5-dimethyl-1,3,2-dioxathiane
OPENEYE Name: 5,5-dimethyl-1,3,2-dioxathiane
IUPAC Name: 5,5-dimethyl-1,3,2-dioxathiane
SYSTEMATIC NAME: 5,5-dimethyl-1,3,2-dioxathiane
MOLECULAR FORMULA: C5H10O2S
MOLECULAR WEIGHT: 134.1967
SMILES: CC1(COSOC1)C
Structure:
CAS RN: 22752-38-1
CAS Name: 1-[bis(3,3-dimethylbut-1-ynyl)phosphoryl]-3,3-dimethyl-1-butyne
OPENEYE Name: 1-[bis(3,3-dimethylbut-1-ynyl)phosphoryl]-3,3-dimethyl-but-1-yne
IUPAC Name: 1-[bis(3,3-dimethylbut-1-ynyl)phosphoryl]-3,3-dimethylbut-1-yne
SYSTEMATIC NAME: 1-[bis(3,3-dimethylbut-1-ynyl)phosphoryl]-3,3-dimethyl-but-1-yne
MOLECULAR FORMULA: C18H27OP
MOLECULAR WEIGHT: 290.380141
SMILES: CC(C)(C)C#CP(=O)(C#CC(C)(C)C)C#CC(C)(C)C
Structure:
CAS RN: 62522-84-3
CAS Name: N-methylcarbamic acid [3-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [3-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
IUPAC Name: [3-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [3-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C20H25N3O5
MOLECULAR WEIGHT: 387.4296
SMILES: CNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC)C3=CC=C(C=C3)OC
Structure:
CAS RN: 62523-05-1
CAS Name: acetic acid [2-(acetyloxymethyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [2-(acetoxymethyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl acetate
IUPAC Name: [2-(acetyloxymethyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl acetate
SYSTEMATIC NAME: [2-(acetyloxymethyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ethanoate
MOLECULAR FORMULA: C20H23NO5
MOLECULAR WEIGHT: 357.40032
SMILES: CC(=O)OCC1=C2CCCN2C(=C1COC(=O)C)C3=CC=C(C=C3)OC
Structure:
CAS RN: 62523-04-0
CAS Name: N-methylcarbamic acid [3-(3,4-dichlorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [3-(3,4-dichlorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
IUPAC Name: [3-(3,4-dichlorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [3-(3,4-dichlorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C19H21Cl2N3O4
MOLECULAR WEIGHT: 426.29374
SMILES: CNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC)C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 62522-79-6
CAS Name: acetic acid [2-(acetyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [2-(acetoxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl acetate
IUPAC Name: [2-(acetyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl acetate
SYSTEMATIC NAME: [2-(acetyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ethanoate
MOLECULAR FORMULA: C19H19Cl2NO4
MOLECULAR WEIGHT: 396.26446
SMILES: CC(=O)OCC1=C2CCCN2C(=C1COC(=O)C)C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 62522-81-0
CAS Name: N-methylcarbamic acid [3-(4-chlorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [3-(4-chlorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
IUPAC Name: [3-(4-chlorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [3-(4-chlorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C19H22ClN3O4
MOLECULAR WEIGHT: 391.84868
SMILES: CNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 62522-80-9
CAS Name: acetic acid [2-(acetyloxymethyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [2-(acetoxymethyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl acetate
IUPAC Name: [2-(acetyloxymethyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl acetate
SYSTEMATIC NAME: [2-(acetyloxymethyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ethanoate
MOLECULAR FORMULA: C19H20ClNO4
MOLECULAR WEIGHT: 361.8194
SMILES: CC(=O)OCC1=C2CCCN2C(=C1COC(=O)C)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 62522-83-2
CAS Name: N-methylcarbamic acid [2-(methylcarbamoyloxymethyl)-3-phenyl-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [2-(methylcarbamoyloxymethyl)-3-phenyl-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
IUPAC Name: [2-(methylcarbamoyloxymethyl)-3-phenyl-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [2-(methylcarbamoyloxymethyl)-3-phenyl-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C19H23N3O4
MOLECULAR WEIGHT: 357.40362
SMILES: CNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC)C3=CC=CC=C3
Structure:
CAS RN: 62522-82-1
CAS Name: acetic acid [2-(acetyloxymethyl)-3-phenyl-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [2-(acetoxymethyl)-3-phenyl-6,7-dihydro-5H-pyrrolizin-1-yl]methyl acetate
IUPAC Name: [2-(acetyloxymethyl)-3-phenyl-6,7-dihydro-5H-pyrrolizin-1-yl]methyl acetate
SYSTEMATIC NAME: [2-(acetyloxymethyl)-3-phenyl-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ethanoate
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: CC(=O)OCC1=C2CCCN2C(=C1COC(=O)C)C3=CC=CC=C3
Structure:
CAS RN: 62522-78-5
CAS Name: N-methylcarbamic acid [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
IUPAC Name: [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [2-(methylcarbamoyloxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C14H18F3N3O4
MOLECULAR WEIGHT: 349.30563
SMILES: CNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC)C(F)(F)F
Structure:
CAS RN: 62522-77-4
CAS Name: acetic acid [2-(acetyloxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [2-(acetoxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl acetate
IUPAC Name: [2-(acetyloxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl acetate
SYSTEMATIC NAME: [2-(acetyloxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ethanoate
MOLECULAR FORMULA: C14H16F3NO4
MOLECULAR WEIGHT: 319.27635
SMILES: CC(=O)OCC1=C2CCCN2C(=C1COC(=O)C)C(F)(F)F
Structure:
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