3-[3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=NN(C=C4)CCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=NN(C=C4)CCC(=O)O

InChI

InChI=1S/C21H18N4O3S/c1-13-2-7-16-18(12-13)29-21(23-16)14-3-5-15(6-4-14)22-20(28)17-8-10-25(24-17)11-9-19(26)27/h2-8,10,12H,9,11H2,1H3,(H,22,28)(H,26,27)