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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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