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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(butylamino)-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-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-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-(butylamino)-2-keto-ethyl] ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC2=C(S1)N(N=C2C)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC2=C(S1)N(N=C2C)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S/c1-3-4-10-20-17(23)12-25-19(24)16-11-15-13(2)21-22(18(15)26-16)14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3,(H,20,23)