[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolecarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC2=C(S1)N(N=C2C)CC3=CC=CC=C3

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CC2=C(S1)N(N=C2C)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-4-8-14(2)22-19(25)13-27-21(26)18-11-17-15(3)23-24(20(17)28-18)12-16-9-6-5-7-10-16/h5-7,9-11,14H,4,8,12-13H2,1-3H3,(H,22,25)