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

Systemtic Name: 2-[methyl-(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonyl-amino]benzoic acid Openeye Name: 2-[methyl-(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]benzoic acid CAS Name: 2-[methyl-[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[methyl-(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)amino]benzoic acid Traditional Name: 2-[methyl-(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=NN(C2=C1C=C(S2)C(=O)N(C)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)N(C)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4

InChI

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