[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(2-ethoxycarbonyl-4-oxidanylidene-1H-quinolin-3-yl)methyl]-methyl-azanium

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(2-ethoxycarbonyl-4-oxidanylidene-1H-quinolin-3-yl)methyl]-methyl-azanium Openeye Name: [(3S)-1,1-dioxothiolan-3-yl]-[(2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl]-methyl-ammonium CAS Name: [(3S)-1,1-dioxo-3-thiolanyl]-[(2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl]-methylammonium IUPAC Name: [(3S)-1,1-dioxothiolan-3-yl]-[(2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl]-methylazanium Traditional Name: (2-carbethoxy-4-keto-1H-quinolin-3-yl)methyl-[(3S)-1,1-diketothiolan-3-yl]-methyl-ammonium Formula: C18H23N2O5S+ MolecularWeight: 379.45062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+](C)C3CCS(=O)(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+](C)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C18H22N2O5S/c1-3-25-18(22)16-14(10-20(2)12-8-9-26(23,24)11-12)17(21)13-6-4-5-7-15(13)19-16/h4-7,12H,3,8-11H2,1-2H3,(H,19,21)/p+1/t12-/m0/s1