3-[[4-[[5-(1,3-benzothiazol-2-yl)-3-[3,5-bis(chloranyl)phenyl]pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[5-(1,3-benzothiazol-2-yl)-3-[3,5-bis(chloranyl)phenyl]pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[5-(1,3-benzothiazol-2-yl)-3-(3,5-dichlorophenyl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[5-(1,3-benzothiazol-2-yl)-3-(3,5-dichlorophenyl)-1-pyrazolyl]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[5-(1,3-benzothiazol-2-yl)-3-(3,5-dichlorophenyl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[5-(1,3-benzothiazol-2-yl)-3-(3,5-dichlorophenyl)pyrazol-1-yl]methyl]benzoyl]amino]propionic acid Formula: C27H20Cl2N4O3S MolecularWeight: 551.4437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=NN3CC4=CC=C(C=C4)C(=O)NCCC(=O)O)C5=CC(=CC(=C5)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=NN3CC4=CC=C(C=C4)C(=O)NCCC(=O)O)C5=CC(=CC(=C5)Cl)Cl

InChI

InChI=1S/C27H20Cl2N4O3S/c28-19-11-18(12-20(29)13-19)22-14-23(27-31-21-3-1-2-4-24(21)37-27)33(32-22)15-16-5-7-17(8-6-16)26(36)30-10-9-25(34)35/h1-8,11-14H,9-10,15H2,(H,30,36)(H,34,35)