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

Systemtic Name: 3-[2-oxidanylidene-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]sulfanylpropanoate Openeye Name: 3-[2-oxo-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-2-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thio]propanoate IUPAC Name: 3-[2-oxo-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]thio]propionate Formula: C18H23N2O5S2- MolecularWeight: 411.51562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CSCCC(=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CSCCC(=O)[O-]

InChI

InChI=1S/C18H24N2O5S2/c21-17(13-26-11-7-18(22)23)20-10-3-4-14-12-15(5-6-16(14)20)27(24,25)19-8-1-2-9-19/h5-6,12H,1-4,7-11,13H2,(H,22,23)/p-1