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

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-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-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 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-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S/c1-14-8-7-11-19(15(14)2)24-21(27)13-29-23(28)20-12-18-16(3)25-26(22(18)30-20)17-9-5-4-6-10-17/h4-12H,13H2,1-3H3,(H,24,27)