Tuesday, October 2, 2012

http://ChemLookup.com Compounds




CAS RN: 148193-38-8
CAS Name: 6-(2-oxiranylmethoxy)-2-(2-oxiranylmethyl)-1,2-benzothiazol-3-one
OPENEYE Name: 6-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethyl)-1,2-benzothiazol-3-one
IUPAC Name: 6-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethyl)-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 6-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethyl)-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C13H13NO4S
MOLECULAR WEIGHT: 279.31162
SMILES: C1C(O1)CN2C(=O)C3=C(S2)C=C(C=C3)OCC4CO4
Structure:

CAS RN: 148193-36-6
CAS Name: 3-methoxy-7-(2-oxiranylmethoxy)-1,2-benzothiazole
OPENEYE Name: 3-methoxy-7-(oxiran-2-ylmethoxy)-1,2-benzothiazole
IUPAC Name: 3-methoxy-7-(oxiran-2-ylmethoxy)-1,2-benzothiazole
SYSTEMATIC NAME: 3-methoxy-7-(oxiran-2-ylmethoxy)-1,2-benzothiazole
MOLECULAR FORMULA: C11H11NO3S
MOLECULAR WEIGHT: 237.27494
SMILES: COC1=NSC2=C1C=CC=C2OCC3CO3
Structure:

CAS RN: 148193-35-5
CAS Name: 3-methoxy-6-(2-oxiranylmethoxy)-1,2-benzothiazole
OPENEYE Name: 3-methoxy-6-(oxiran-2-ylmethoxy)-1,2-benzothiazole
IUPAC Name: 3-methoxy-6-(oxiran-2-ylmethoxy)-1,2-benzothiazole
SYSTEMATIC NAME: 3-methoxy-6-(oxiran-2-ylmethoxy)-1,2-benzothiazole
MOLECULAR FORMULA: C11H11NO3S
MOLECULAR WEIGHT: 237.27494
SMILES: COC1=NSC2=C1C=CC(=C2)OCC3CO3
Structure:

CAS RN: 148193-34-4
CAS Name: 3-methoxy-5-(2-oxiranylmethoxy)-1,2-benzothiazole
OPENEYE Name: 3-methoxy-5-(oxiran-2-ylmethoxy)-1,2-benzothiazole
IUPAC Name: 3-methoxy-5-(oxiran-2-ylmethoxy)-1,2-benzothiazole
SYSTEMATIC NAME: 3-methoxy-5-(oxiran-2-ylmethoxy)-1,2-benzothiazole
MOLECULAR FORMULA: C11H11NO3S
MOLECULAR WEIGHT: 237.27494
SMILES: COC1=NSC2=C1C=C(C=C2)OCC3CO3
Structure:

CAS RN: 148193-33-3
CAS Name: 3-methoxy-1,2-benzothiazol-6-amine
OPENEYE Name: 3-methoxy-1,2-benzothiazol-6-amine
IUPAC Name: 3-methoxy-1,2-benzothiazol-6-amine
SYSTEMATIC NAME: 3-methoxy-1,2-benzothiazol-6-amine
MOLECULAR FORMULA: C8H8N2OS
MOLECULAR WEIGHT: 180.22692
SMILES: COC1=NSC2=C1C=CC(=C2)N
Structure:

CAS RN: 148193-32-2
CAS Name: 3-methoxy-6-nitro-1,2-benzothiazole
OPENEYE Name: 3-methoxy-6-nitro-1,2-benzothiazole
IUPAC Name: 3-methoxy-6-nitro-1,2-benzothiazole
SYSTEMATIC NAME: 3-methoxy-6-nitro-1,2-benzothiazole
MOLECULAR FORMULA: C8H6N2O3S
MOLECULAR WEIGHT: 210.20984
SMILES: COC1=NSC2=C1C=CC(=C2)[N+](=O)[O-]
Structure:

CAS RN: 148193-31-1
CAS Name: 3-chloro-1,2-benzothiazol-7-amine
OPENEYE Name: 3-chloro-1,2-benzothiazol-7-amine
IUPAC Name: 3-chloro-1,2-benzothiazol-7-amine
SYSTEMATIC NAME: 3-chloranyl-1,2-benzothiazol-7-amine
MOLECULAR FORMULA: C7H5ClN2S
MOLECULAR WEIGHT: 184.646
SMILES: C1=CC2=C(C(=C1)N)SN=C2Cl
Structure:

CAS RN: 148193-30-0
CAS Name: 3-chloro-1,2-benzothiazol-5-amine
OPENEYE Name: 3-chloro-1,2-benzothiazol-5-amine
IUPAC Name: 3-chloro-1,2-benzothiazol-5-amine
SYSTEMATIC NAME: 3-chloranyl-1,2-benzothiazol-5-amine
MOLECULAR FORMULA: C7H5ClN2S
MOLECULAR WEIGHT: 184.646
SMILES: C1=CC2=C(C=C1N)C(=NS2)Cl
Structure:

CAS RN: 148193-29-7
CAS Name: 7-(2-oxiranylmethoxy)-1,2-benzothiazole
OPENEYE Name: 7-(oxiran-2-ylmethoxy)-1,2-benzothiazole
IUPAC Name: 7-(oxiran-2-ylmethoxy)-1,2-benzothiazole
SYSTEMATIC NAME: 7-(oxiran-2-ylmethoxy)-1,2-benzothiazole
MOLECULAR FORMULA: C10H9NO2S
MOLECULAR WEIGHT: 207.24896
SMILES: C1C(O1)COC2=CC=CC3=C2SN=C3
Structure:

CAS RN: 146981-12-6
CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-[(3S)-3-methyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-5-methyl-7-[(3S)-3-methylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C22H20F3N3O3
MOLECULAR WEIGHT: 431.40771
SMILES: C[C@H]1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)C)F
Structure:

CAS RN: 146981-10-4
CAS Name: 7-[(3S)-3-[(1S)-1-aminoethyl]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
OPENEYE Name: 7-[(3S)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
IUPAC Name: 7-[(3S)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SYSTEMATIC NAME: 7-[(3S)-3-[(1S)-1-azanylethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid
MOLECULAR FORMULA: C18H21FN4O3
MOLECULAR WEIGHT: 360.382743
SMILES: C[C@@H]([C@H]1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N
Structure:

CAS RN: 146981-09-1
CAS Name: 5-amino-7-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 5-amino-7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 5-amino-7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 5-azanyl-7-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C18H21FN4O4
MOLECULAR WEIGHT: 376.382143
SMILES: COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CC[C@@H](C4)N
Structure:

CAS RN: 144980-29-0
CAS Name: 2-[4-[[(2R)-3,4-dihydro-2H-1-benzopyran-2-yl]methylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
OPENEYE Name: 2-[4-[[(2R)-chroman-2-yl]methylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
IUPAC Name: 2-[4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 2-[4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C21H24N2O4S
MOLECULAR WEIGHT: 400.49126
SMILES: C1CC2=CC=CC=C2O[C@H]1CNCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O
Structure:

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