(2-oxidanylidene-2-phenylazanyl-ethyl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 3-methyl-1-(p-tolylmethyl)thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-[(4-methylphenyl)methyl]-5-thieno[2,3-c]pyrazolecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-(4-methylbenzyl)thieno[2,3-c]pyrazole-5-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)OCC(=O)NC4=CC=CC=C4)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)OCC(=O)NC4=CC=CC=C4)C(=N2)C

InChI

InChI=1S/C23H21N3O3S/c1-15-8-10-17(11-9-15)13-26-22-19(16(2)25-26)12-20(30-22)23(28)29-14-21(27)24-18-6-4-3-5-7-18/h3-12H,13-14H2,1-2H3,(H,24,27)