methyl 4-methyl-3-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(2-keto-2-piperidino-ethyl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC(=O)N2CCCCC2

InChI

InChI=1S/C18H24N2O4S/c1-13-6-7-14(18(23)24-2)10-15(13)19-16(21)11-25-12-17(22)20-8-4-3-5-9-20/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,19,21)