[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(S3)N(N=C4C)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(S3)N(N=C4C)C5=CC=CC=C5)C

InChI

InChI=1S/C29H25N3O3S/c1-18-14-19(2)16-22(15-18)30-27(33)26(21-10-6-4-7-11-21)35-29(34)25-17-24-20(3)31-32(28(24)36-25)23-12-8-5-9-13-23/h4-17,26H,1-3H3,(H,30,33)