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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(isopentylamino)-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-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-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-(isoamylamino)-2-keto-ethyl] ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NCCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NCCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c1-13(2)9-10-21-18(24)12-26-20(25)17-11-16-14(3)22-23(19(16)27-17)15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,21,24)