[2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-[3-(ethylcarbamoyl)anilino]-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-[3-(ethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H25N3O5S/c1-2-23-20(27)16-5-3-6-17(13-16)24-19(26)14-30-22(29)15-8-10-25(11-9-15)21(28)18-7-4-12-31-18/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,23,27)(H,24,26)