3-methyl-4-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]benzoic acid Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S/c1-12-10-14(21(26)27)8-9-17(12)22-19(25)18-11-16-13(2)23-24(20(16)28-18)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,22,25)(H,26,27)