[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C14H19NO5S2 MolecularWeight: 345.43436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H19NO5S2/c1-10-3-4-13(21-10)12(16)9-20-14(17)11-5-7-15(8-6-11)22(2,18)19/h3-4,11H,5-9H2,1-2H3