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

Systemtic Name: 5-[[(1,3-dimethylthieno[2,3-c]pyrazol-5-yl)carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(1,3-dimethylthieno[2,3-c]pyrazole-5-carbonyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(1,3-dimethyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(1,3-dimethylthieno[2,3-c]pyrazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(1,3-dimethylthieno[2,3-c]pyrazole-5-carbonyl)amino]methyl]-2-methoxy-benzoic acid Formula: C17H17N3O4S MolecularWeight: 359.39958

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-9-11-7-14(25-16(11)20(2)19-9)15(21)18-8-10-4-5-13(24-3)12(6-10)17(22)23/h4-7H,8H2,1-3H3,(H,18,21)(H,22,23)