3-[[4-[[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxy-1,3-benzothiazol-2-yl)pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxy-1,3-benzothiazol-2-yl)pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[3-(3,5-dichlorophenyl)-5-(6-methoxy-1,3-benzothiazol-2-yl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[3-(3,5-dichlorophenyl)-5-(6-methoxy-1,3-benzothiazol-2-yl)-1-pyrazolyl]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[3-(3,5-dichlorophenyl)-5-(6-methoxy-1,3-benzothiazol-2-yl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[3-(3,5-dichlorophenyl)-5-(6-methoxy-1,3-benzothiazol-2-yl)pyrazol-1-yl]methyl]benzoyl]amino]propionic acid Formula: C28H22Cl2N4O4S MolecularWeight: 581.46968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C3=CC(=NN3CC4=CC=C(C=C4)C(=O)NCCC(=O)O)C5=CC(=CC(=C5)Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=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/C28H22Cl2N4O4S/c1-38-21-6-7-22-25(13-21)39-28(32-22)24-14-23(18-10-19(29)12-20(30)11-18)33-34(24)15-16-2-4-17(5-3-16)27(37)31-9-8-26(35)36/h2-7,10-14H,8-9,15H2,1H3,(H,31,37)(H,35,36)