methyl 4-[[2-[1-(2-methylsulfanylethyl)-5-oxidanylidene-pyrrolidin-2-yl]ethylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[1-(2-methylsulfanylethyl)-5-oxidanylidene-pyrrolidin-2-yl]ethylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[1-(2-methylsulfanylethyl)-5-oxo-pyrrolidin-2-yl]ethylamino]methyl]benzoate CAS Name: 4-[[2-[1-[2-(methylthio)ethyl]-5-oxo-2-pyrrolidinyl]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(2-methylsulfanylethyl)-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate Traditional Name: 4-[[2-[5-keto-1-[2-(methylthio)ethyl]pyrrolidin-2-yl]ethylamino]methyl]benzoic acid methyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNCCC2CCC(=O)N2CCSC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNCCC2CCC(=O)N2CCSC

InChI

InChI=1S/C18H26N2O3S/c1-23-18(22)15-5-3-14(4-6-15)13-19-10-9-16-7-8-17(21)20(16)11-12-24-2/h3-6,16,19H,7-13H2,1-2H3