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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-4-5-11-22(3)18(24)13-26-20(25)17-12-16-14(2)21-23(19(16)27-17)15-9-7-6-8-10-15/h6-10,12H,4-5,11,13H2,1-3H3