[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-[benzyl(tert-butyl)amino]-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-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-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-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)OCC(=O)N(CC4=CC=CC=C4)C(C)(C)C)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)OCC(=O)N(CC4=CC=CC=C4)C(C)(C)C)C(=N2)C

InChI

InChI=1S/C28H31N3O3S/c1-19-11-13-22(14-12-19)17-31-26-23(20(2)29-31)15-24(35-26)27(33)34-18-25(32)30(28(3,4)5)16-21-9-7-6-8-10-21/h6-15H,16-18H2,1-5H3