methyl 4-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-keto-2-piperidino-ethyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCCCC2

InChI

InChI=1S/C17H22N2O4S/c1-23-17(22)13-5-7-14(8-6-13)18-15(20)11-24-12-16(21)19-9-3-2-4-10-19/h5-8H,2-4,9-12H2,1H3,(H,18,20)