2-methoxy-5-[[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]methyl]benzoic acid Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O4S/c1-13-16-11-19(30-21(16)25(24-13)15-6-4-3-5-7-15)20(26)23-12-14-8-9-18(29-2)17(10-14)22(27)28/h3-11H,12H2,1-2H3,(H,23,26)(H,27,28)