dimethyl 5-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(2-keto-2-piperidino-ethyl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O6S/c1-26-18(24)13-8-14(19(25)27-2)10-15(9-13)20-16(22)11-28-12-17(23)21-6-4-3-5-7-21/h8-10H,3-7,11-12H2,1-2H3,(H,20,22)