Monday, October 24, 2011

http://ChemLookup.com Compounds



CAS RN: 55407-74-4
CAS Name: (E)-2-butenedioic acid; (3Z)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-1-propanamine
OPENEYE Name: (3Z)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; (3Z)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; (3Z)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine
MOLECULAR FORMULA: C21H23NO4S2
MOLECULAR WEIGHT: 417.54162
SMILES: CN(C)CC/C=C/1\C2=C(SCC3=CC=CC=C31)SC=C2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 55375-40-1
CAS Name: methanesulfonic acid [5-[[(E)-but-2-enyl]thio]-1-methyl-1,2,4-triazol-3-yl] ester
OPENEYE Name: [5-[(E)-but-2-enyl]sulfanyl-1-methyl-1,2,4-triazol-3-yl] methanesulfonate
IUPAC Name: [5-[(E)-but-2-enyl]sulfanyl-1-methyl-1,2,4-triazol-3-yl] methanesulfonate
SYSTEMATIC NAME: [5-[(E)-but-2-enyl]sulfanyl-1-methyl-1,2,4-triazol-3-yl] methanesulfonate
MOLECULAR FORMULA: C8H13N3O3S2
MOLECULAR WEIGHT: 263.33712
SMILES: C/C=C/CSC1=NC(=NN1C)OS(=O)(=O)C
Structure:
CAS RN: 55372-22-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H65N3O13
MOLECULAR WEIGHT: 880.0313
SMILES: CCCN(C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O)N5CCCCC5
Structure:
CAS RN: 55372-21-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H63N3O13
MOLECULAR WEIGHT: 866.00472
SMILES: CCN(C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O)N5CCCCC5
Structure:
CAS RN: 55372-20-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H61N3O13
MOLECULAR WEIGHT: 851.97814
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(C)N5CCCCC5)\C
Structure:
CAS RN: 55372-19-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H65N3O13
MOLECULAR WEIGHT: 868.0206
SMILES: CCCCCN(C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O)N(C)C
Structure:
CAS RN: 55372-18-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H73N3O13
MOLECULAR WEIGHT: 924.12692
SMILES: CCCCN(CCCC)N(C(C)C)C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O
Structure:
CAS RN: 55372-15-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H60N2O14
MOLECULAR WEIGHT: 852.9629
SMILES: CC1COCC(N1C(=O)COC2=C3C4=C(C(=C2)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC5(C(=O)C3=C(O5)C(=C4O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O)C
Structure:
CAS RN: 55326-13-1
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-4-ylpiperazine
OPENEYE Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(4-pyridyl)piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-4-ylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-4-yl-piperazine
MOLECULAR FORMULA: C31H30ClN3O8S
MOLECULAR WEIGHT: 640.1032
SMILES: C1N(CCN(C1)C2=CC=NC=C2)C3C4=C(SC5=CC=CC=C5C3)C=CC(=C4)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 55301-78-5
CAS Name: (E)-2-butenedioic acid; 1-[5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]-1-propanone
OPENEYE Name: fumaric acid; 1-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propan-1-one
IUPAC Name: (E)-but-2-enedioic acid; 1-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propan-1-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propan-1-one
MOLECULAR FORMULA: C26H30N2O5S
MOLECULAR WEIGHT: 482.5918
SMILES: CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 55298-62-9
CAS Name: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,
OPENEYE Name: ethyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nona
IUPAC Name: ethyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,
SYSTEMATIC NAME: ethyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,30,31,33,35,37-octakis(oxidanyl)-23-oxidanylidene-22,39-dioxabicyclo[33
MOLECULAR FORMULA: C49H77NO17
MOLECULAR WEIGHT: 952.13218
SMILES: CCOC(=O)[C@H]1[C@@H]2C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C[C@@H](CC[C@H]([C@@H](C[C@@H](C[C@@](O2)(C[C@@H]1O)O)O)O)O)O)O)C)C)O)C)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O
Structure:
CAS RN: 55290-96-5
CAS Name: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,
OPENEYE Name: propyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]non
IUPAC Name: propyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4
SYSTEMATIC NAME: propyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,30,31,33,35,37-octakis(oxidanyl)-23-oxidanylidene-22,39-dioxabicyclo[3
MOLECULAR FORMULA: C50H79NO17
MOLECULAR WEIGHT: 966.15876
SMILES: CCCOC(=O)[C@H]1[C@@H]2C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C[C@@H](CC[C@H]([C@@H](C[C@@H](C[C@@](O2)(C[C@@H]1O)O)O)O)O)O)O)C)C)O)C)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O
Structure:
CAS RN: 55212-61-8
CAS Name: (E)-2-butenedioic acid; 1-nitroso-4-[(2,4,6-trimethylphenyl)methyl]piperazine
OPENEYE Name: fumaric acid; 1-nitroso-4-[(2,4,6-trimethylphenyl)methyl]piperazine
IUPAC Name: (E)-but-2-enedioic acid; 1-nitroso-4-[(2,4,6-trimethylphenyl)methyl]piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-nitroso-4-[(2,4,6-trimethylphenyl)methyl]piperazine
MOLECULAR FORMULA: C18H25N3O5
MOLECULAR WEIGHT: 363.4082
SMILES: CC1=CC(=C(C(=C1)C)CN2CCN(CC2)N=O)C.C(=C/C(=O)O)\C(=O)O
Structure:

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