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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-benzamido-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-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-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-benzamido-2-keto-ethyl) ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4S/c1-15-8-10-17(11-9-15)13-27-23-19(16(2)26-27)12-20(32-23)24(30)31-14-21(28)25-22(29)18-6-4-3-5-7-18/h3-12H,13-14H2,1-2H3,(H,25,28,29)