[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CS2)C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CS2)C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4S/c21-12-15-8-11-29-18(15)23-17(25)13-28-19(26)14-6-9-24(10-7-14)20(27)22-16-4-2-1-3-5-16/h1-5,8,11,14H,6-7,9-10,13H2,(H,22,27)(H,23,25)