methyl 2-[2-oxidanylidene-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-oxidanylidene-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-oxo-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]sulfanylacetate CAS Name: 2-[[2-oxo-2-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-oxo-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]thio]acetic acid methyl ester Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)CSCC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H24N2O5S2/c1-25-18(22)13-26-12-17(21)20-10-4-5-14-11-15(6-7-16(14)20)27(23,24)19-8-2-3-9-19/h6-7,11H,2-5,8-10,12-13H2,1H3