CAS RN: 15208-16-9
CAS Name: 5-[[4-[bis(2-hydroxyethyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
OPENEYE Name: 5-[[4-[bis(2-hydroxyethyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid
IUPAC Name: 5-[[4-[bis(2-hydroxyethyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
SYSTEMATIC NAME: 5-[[4-[bis(2-hydroxyethyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C30H40N12O10S2
MOLECULAR WEIGHT: 792.843
SMILES: CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)N(CCO)CCO)NC)S(=O)(=O)O)S(=O)(=O)O)N(CCO)CCO
Structure:
CAS RN: 15185-97-4
CAS Name: (E)-2-butenedioic acid; 1-methyl-4-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)piperidine
OPENEYE Name: fumaric acid; 1-methyl-4-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)piperidine
IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-4-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)piperidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-methyl-4-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)piperidine
MOLECULAR FORMULA: C22H23NO4S2
MOLECULAR WEIGHT: 429.55232
SMILES: CN1CCC(=C2C3=C(SCC4=CC=CC=C42)SC=C3)CC1.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 15137-27-6
CAS Name: (E)-2-butenedioic acid; 2-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yloxy)-N,N-dimethylethanamine
OPENEYE Name: 2-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yloxy)-N,N-dimethyl-ethanamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yloxy)-N,N-dimethylethanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yloxy)-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C20H23NO5S2
MOLECULAR WEIGHT: 421.53032
SMILES: CN(C)CCOC1C2=C(SCC3=CC=CC=C13)SC=C2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 15137-26-5
CAS Name: (3E)-3-(8-bromo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethyl-1-propanamine hydrochloride
OPENEYE Name: (3E)-3-(8-bromo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethyl-propan-1-amine hydrochloride
IUPAC Name: (3E)-3-(8-bromo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethylpropan-1-amine hydrochloride
SYSTEMATIC NAME: (3E)-3-(8-bromanyl-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C17H19BrClNS2
MOLECULAR WEIGHT: 416.82646
SMILES: CN(C)CC/C=C\1/C2=C(SCC3=C1C=C(C=C3)Br)SC=C2.Cl
Structure:
CAS RN: 15053-18-6
CAS Name: (E)-2-butenedioic acid; 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-4-methylpiperazine
OPENEYE Name: 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-4-methyl-piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-4-methylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-4-methyl-piperazine
MOLECULAR FORMULA: C21H24N2O4S2
MOLECULAR WEIGHT: 432.55626
SMILES: CN1CCN(CC1)C2C3=C(SCC4=CC=CC=C24)SC=C3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 15053-17-5
CAS Name: (3E)-3-(8-chloro-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethyl-1-propanamine hydrochloride
OPENEYE Name: (3E)-3-(8-chloro-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethyl-propan-1-amine hydrochloride
IUPAC Name: (3E)-3-(8-chloro-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethylpropan-1-amine hydrochloride
SYSTEMATIC NAME: (3E)-3-(8-chloranyl-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C17H19Cl2NS2
MOLECULAR WEIGHT: 372.37546
SMILES: CN(C)CC/C=C\1/C2=C(SCC3=C1C=C(C=C3)Cl)SC=C2.Cl
Structure:
CAS RN: 15053-16-4
CAS Name: (E)-2-butenedioic acid; 4-(8-chloro-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-1-methylpiperidine
OPENEYE Name: 4-(8-chloro-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-1-methyl-piperidine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 4-(8-chloro-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-1-methylpiperidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-(8-chloranyl-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-1-methyl-piperidine
MOLECULAR FORMULA: C22H22ClNO4S2
MOLECULAR WEIGHT: 463.99738
SMILES: CN1CCC(=C2C3=C(SCC4=C2C=C(C=C4)Cl)SC=C3)CC1.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 15053-14-2
CAS Name: 1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-4-phenylpiperidine hydrochloride
OPENEYE Name: 1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-4-phenyl-piperidine hydrochloride
IUPAC Name: 1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-4-phenylpiperidine hydrochloride
SYSTEMATIC NAME: 1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-4-phenyl-piperidine hydrochloride
MOLECULAR FORMULA: C28H30ClNS
MOLECULAR WEIGHT: 448.0625
SMILES: C1CN(CCC1C2=CC=CC=C2)CC/C=C/3\C4=CC=CC=C4CSC5=CC=CC=C53.Cl
Structure:
CAS RN: 15037-65-7
CAS Name: dimethoxy-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-sulfanylidenephosphorane
OPENEYE Name: dimethoxy-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-thioxo-$l^{5}-phosphane
IUPAC Name: dimethoxy-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: dimethoxy-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C12H17O4PS
MOLECULAR WEIGHT: 288.299741
SMILES: C/C=C/C1=CC(=C(C=C1)OP(=S)(OC)OC)OC
Structure:
CAS RN: 15037-53-3
CAS Name: 1-[(3E)-3-(2-chloro-9-thioxanthenylidene)propyl]-4-phenylpiperidine hydrochloride
OPENEYE Name: 1-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]-4-phenyl-piperidine hydrochloride
IUPAC Name: 1-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]-4-phenylpiperidine hydrochloride
SYSTEMATIC NAME: 1-[(3E)-3-(2-chloranylthioxanthen-9-ylidene)propyl]-4-phenyl-piperidine hydrochloride
MOLECULAR FORMULA: C27H27Cl2NS
MOLECULAR WEIGHT: 468.48098
SMILES: C1CN(CCC1C2=CC=CC=C2)CC/C=C/3\C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.Cl
Structure:
CAS RN: 14715-02-7
CAS Name: N,N-diethyl-2-[(3Z)-3-(phenylmethylene)-1-indenyl]ethanamine hydrochloride
OPENEYE Name: 2-[(3Z)-3-benzylideneinden-1-yl]-N,N-diethyl-ethanamine hydrochloride
IUPAC Name: 2-[(3Z)-3-benzylideneinden-1-yl]-N,N-diethylethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-[(3Z)-3-(phenylmethylidene)inden-1-yl]ethanamine hydrochloride
MOLECULAR FORMULA: C22H26ClN
MOLECULAR WEIGHT: 339.90154
SMILES: CCN(CC)CCC1=C/C(=C/C2=CC=CC=C2)/C3=CC=CC=C31.Cl
Structure:
CAS RN: 14510-15-7
CAS Name: phosphoric acid [(E)-4-amino-4-oxobut-2-en-2-yl] dimethyl ester
OPENEYE Name: [(E)-3-amino-1-methyl-3-oxo-prop-1-enyl] dimethyl phosphate
IUPAC Name: [(E)-4-amino-4-oxobut-2-en-2-yl] dimethyl phosphate
SYSTEMATIC NAME: [(E)-4-azanyl-4-oxidanylidene-but-2-en-2-yl] dimethyl phosphate
MOLECULAR FORMULA: C6H12NO5P
MOLECULAR WEIGHT: 209.136941
SMILES: C/C(=C\C(=O)N)/OP(=O)(OC)OC
Structure:
CAS RN: 14487-04-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H58N2O13
MOLECULAR WEIGHT: 822.93692
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)N5CCCCC5)\C
Structure:
CAS RN: 14242-18-3
CAS Name: 4-methylbenzenesulfonate; 4-[(E)-3-oxo-3-[(1-propyl-7-quinolin-1-iumyl)amino]prop-1-enyl]-N-(1-propyl-7-quinolin-1-iumyl)benzamide
OPENEYE Name: 4-methylbenzenesulfonate; 4-[(E)-3-oxo-3-[(1-propylquinolin-1-ium-7-yl)amino]prop-1-enyl]-N-(1-propylquinolin-1-ium-7-yl)benzamide
IUPAC Name: 4-methylbenzenesulfonate; 4-[(E)-3-oxo-3-[(1-propylquinolin-1-ium-7-yl)amino]prop-1-enyl]-N-(1-propylquinolin-1-ium-7-yl)benzamide
SYSTEMATIC NAME: 4-methylbenzenesulfonate; 4-[(E)-3-oxidanylidene-3-[(1-propylquinolin-1-ium-7-yl)amino]prop-1-enyl]-N-(1-propylquinolin-1-ium-7-yl)benzamide
MOLECULAR FORMULA: C48H48N4O8S2
MOLECULAR WEIGHT: 873.04672
SMILES: CCC[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=CC=[N+]5CCC)C=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 14228-25-2
CAS Name: 1-[1-[(E)-3-phenylprop-2-enyl]cyclohexyl]piperidine
OPENEYE Name: 1-[1-[(E)-cinnamyl]cyclohexyl]piperidine
IUPAC Name: 1-[1-[(E)-3-phenylprop-2-enyl]cyclohexyl]piperidine
SYSTEMATIC NAME: 1-[1-[(E)-3-phenylprop-2-enyl]cyclohexyl]piperidine
MOLECULAR FORMULA: C20H29N
MOLECULAR WEIGHT: 283.45096
SMILES: C1CCC(CC1)(C/C=C/C2=CC=CC=C2)N3CCCCC3
Structure:
CAS RN: 14228-24-1
CAS Name: 1-[1-[(E)-2-phenylethenyl]cyclohexyl]piperidine
OPENEYE Name: 1-[1-[(E)-styryl]cyclohexyl]piperidine
IUPAC Name: 1-[1-[(E)-2-phenylethenyl]cyclohexyl]piperidine
SYSTEMATIC NAME: 1-[1-[(E)-2-phenylethenyl]cyclohexyl]piperidine
MOLECULAR FORMULA: C19H27N
MOLECULAR WEIGHT: 269.42438
SMILES: C1CCC(CC1)(/C=C/C2=CC=CC=C2)N3CCCCC3
Structure:
CAS RN: 14200-06-7
CAS Name: 2-[(E)-2-phenylethenyl]benzoic acid 3-(dimethylamino)propyl ester hydrochloride
OPENEYE Name: 3-(dimethylamino)propyl 2-[(E)-styryl]benzoate hydrochloride
IUPAC Name: 3-(dimethylamino)propyl 2-[(E)-2-phenylethenyl]benzoate hydrochloride
SYSTEMATIC NAME: 3-(dimethylamino)propyl 2-[(E)-2-phenylethenyl]benzoate hydrochloride
MOLECULAR FORMULA: C20H24ClNO2
MOLECULAR WEIGHT: 345.86306
SMILES: CN(C)CCCOC(=O)C1=CC=CC=C1/C=C/C2=CC=CC=C2.Cl
Structure:
CAS RN: 14150-54-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H56N2O14
MOLECULAR WEIGHT: 824.90974
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)N5CCOCC5)\C
Structure:
CAS RN: 14074-90-9
CAS Name: (E)-2-butenedioic acid; 2-[4-(1-pyrrolidinyl)but-2-ynyl]-3H-isoindol-1-one
OPENEYE Name: fumaric acid; 2-(4-pyrrolidin-1-ylbut-2-ynyl)isoindolin-1-one
IUPAC Name: (E)-but-2-enedioic acid; 2-(4-pyrrolidin-1-ylbut-2-ynyl)-3H-isoindol-1-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(4-pyrrolidin-1-ylbut-2-ynyl)-3H-isoindol-1-one
MOLECULAR FORMULA: C20H22N2O5
MOLECULAR WEIGHT: 370.39908
SMILES: C1CCN(C1)CC#CCN2CC3=CC=CC=C3C2=O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 13956-72-4
CAS Name: (Z)-2-butenedioic acid; 1-(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
OPENEYE Name: 1-(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-(1-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine
MOLECULAR FORMULA: C23H25ClN2O4S
MOLECULAR WEIGHT: 460.9736
SMILES: CN1CCN(CC1)C2CC3=C(C(=CC=C3)Cl)SC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
Structure:
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