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

Systemtic Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-[(1-cyano-1-methyl-ethyl)-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-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanopropan-2-yl(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-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-13-15-10-16(19(26)27-11-17(25)23(4)20(2,3)12-21)28-18(15)24(22-13)14-8-6-5-7-9-14/h5-10H,11H2,1-4H3