Tuesday, May 14, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-[[(3S)-1,1-dioxothiolan-3-yl]-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-2-oxo-ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-[[(2S)-2-oxolanyl]methyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(3S)-1,1-dioxothiolan-3-yl]-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C18H24N2O6S
MOLECULAR WEIGHT: 396.45796
SMILES: CC1=NC=C(C=C1)C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]3CCS(=O)(=O)C3
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Product OPENEYE NAME: [2-[[(3S)-1,1-dioxothiolan-3-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-2-oxo-ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-[[(2R)-2-oxolanyl]methyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(3S)-1,1-dioxothiolan-3-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C18H24N2O6S
MOLECULAR WEIGHT: 396.45796
SMILES: CC1=NC=C(C=C1)C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]3CCS(=O)(=O)C3
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Product OPENEYE NAME: [2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl]-ethyl-amino]-2-oxo-ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[[2-[[(3R)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl]-ethylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-ethylamino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [2-[[2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C17H23N3O6S
MOLECULAR WEIGHT: 397.44602
SMILES: CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CN=C(C=C2)C
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Product OPENEYE NAME: [2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl]-ethyl-amino]-2-oxo-ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[[2-[[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl]-ethylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-ethylamino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [2-[[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C17H23N3O6S
MOLECULAR WEIGHT: 397.44602
SMILES: CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CN=C(C=C2)C
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Product OPENEYE NAME: [2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C22H20N2O5S
MOLECULAR WEIGHT: 424.4696
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CN=C(C=C3)C
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Product OPENEYE NAME: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C17H15N3O3
MOLECULAR WEIGHT: 309.3193
SMILES: CC1=NC=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2C#N
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Product OPENEYE NAME: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C17H15N3O3
MOLECULAR WEIGHT: 309.3193
SMILES: CC1=NC=C(C=C1)C(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2C#N
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Product OPENEYE NAME: (2R)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(o-tolyl)propanamide
CAS Name: (2R)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazin-1-iumyl]-N-(2-methylphenyl)propanamide
IUPAC NAME: (2R)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide
SYSTEMATIC NAME: (2R)-2-[4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide
MOLECULAR FORMULA: C22H26ClN4O5S+
MOLECULAR WEIGHT: 493.98364
SMILES: CC1=CC=CC=C1NC(=O)[C@@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl
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Product OPENEYE NAME: (2R)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(o-tolyl)propanamide
CAS Name: (2R)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazinyl]-N-(2-methylphenyl)propanamide
IUPAC NAME: (2R)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
SYSTEMATIC NAME: (2R)-2-[4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
MOLECULAR FORMULA: C22H25ClN4O5S
MOLECULAR WEIGHT: 492.9757
SMILES: CC1=CC=CC=C1NC(=O)[C@@H](C)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl
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Product OPENEYE NAME: (2S)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(o-tolyl)propanamide
CAS Name: (2S)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazin-1-iumyl]-N-(2-methylphenyl)propanamide
IUPAC NAME: (2S)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-[4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide
MOLECULAR FORMULA: C22H26ClN4O5S+
MOLECULAR WEIGHT: 493.98364
SMILES: CC1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl
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Product OPENEYE NAME: (2S)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(o-tolyl)propanamide
CAS Name: (2S)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazinyl]-N-(2-methylphenyl)propanamide
IUPAC NAME: (2S)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-[4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
MOLECULAR FORMULA: C22H25ClN4O5S
MOLECULAR WEIGHT: 492.9757
SMILES: CC1=CC=CC=C1NC(=O)[C@H](C)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl
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Product OPENEYE NAME: (2R)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(m-tolyl)propanamide
CAS Name: (2R)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazin-1-iumyl]-N-(3-methylphenyl)propanamide
IUPAC NAME: (2R)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
SYSTEMATIC NAME: (2R)-2-[4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
MOLECULAR FORMULA: C22H26ClN4O5S+
MOLECULAR WEIGHT: 493.98364
SMILES: CC1=CC(=CC=C1)NC(=O)[C@@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl
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Product OPENEYE NAME: (2R)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(m-tolyl)propanamide
CAS Name: (2R)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazinyl]-N-(3-methylphenyl)propanamide
IUPAC NAME: (2R)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(3-methylphenyl)propanamide
SYSTEMATIC NAME: (2R)-2-[4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]-N-(3-methylphenyl)propanamide
MOLECULAR FORMULA: C22H25ClN4O5S
MOLECULAR WEIGHT: 492.9757
SMILES: CC1=CC(=CC=C1)NC(=O)[C@@H](C)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl
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Product OPENEYE NAME: (2S)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(m-tolyl)propanamide
CAS Name: (2S)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazin-1-iumyl]-N-(3-methylphenyl)propanamide
IUPAC NAME: (2S)-2-[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-[4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
MOLECULAR FORMULA: C22H26ClN4O5S+
MOLECULAR WEIGHT: 493.98364
SMILES: CC1=CC(=CC=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl
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