[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C15H17N3O6S2 MolecularWeight: 399.44198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=NOC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=NOC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H17N3O6S2/c19-13(16-12-5-8-24-17-12)10-23-15(20)11-3-6-18(7-4-11)26(21,22)14-2-1-9-25-14/h1-2,5,8-9,11H,3-4,6-7,10H2,(H,16,17,19)