[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-4-piperidinecarboxylic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Traditional Name: 1-pivaloylisonipecotic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2CCN(CC2)C(=O)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2CCN(CC2)C(=O)C(C)(C)C

InChI

InChI=1S/C19H25N3O4S/c1-12(15(23)21-16-14(11-20)7-10-27-16)26-17(24)13-5-8-22(9-6-13)18(25)19(2,3)4/h7,10,12-13H,5-6,8-9H2,1-4H3,(H,21,23)