methyl 4-methylsulfanyl-2-(piperidin-4-ylcarbonylamino)butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-(piperidin-4-ylcarbonylamino)butanoate Openeye Name: methyl 4-methylsulfanyl-2-(piperidine-4-carbonylamino)butanoate CAS Name: 4-(methylthio)-2-[[oxo(4-piperidinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-(piperidine-4-carbonylamino)butanoate Traditional Name: 2-(isonipecotoylamino)-4-(methylthio)butyric acid methyl ester Formula: C12H22N2O3S MolecularWeight: 274.37968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1CCNCC1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1CCNCC1

InChI

InChI=1S/C12H22N2O3S/c1-17-12(16)10(5-8-18-2)14-11(15)9-3-6-13-7-4-9/h9-10,13H,3-8H2,1-2H3,(H,14,15)