(2S)-N-(furan-2-ylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-3-thiophen-2-yl-propanethioamide

Systemtic Name: (2S)-N-(furan-2-ylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-3-thiophen-2-yl-propanethioamide Openeye Name: (2S)-N-(2-furylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-3-(2-thienyl)propanethioamide CAS Name: (2S)-N-(2-furanylmethyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxo-3-thiophen-2-ylpropanethioamide IUPAC Name: (2S)-N-(furan-2-ylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-3-thiophen-2-ylpropanethioamide Traditional Name: (2S)-N-(2-furfuryl)-3-keto-2-(3-methylpyridin-1-ium-1-yl)-3-(2-thienyl)thiopropionamide Formula: C18H17N2O2S2+ MolecularWeight: 357.46978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(C(=O)C2=CC=CS2)C(=S)NCC3=CC=CO3

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@@H](C(=O)C2=CC=CS2)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H16N2O2S2/c1-13-5-2-8-20(12-13)16(17(21)15-7-4-10-24-15)18(23)19-11-14-6-3-9-22-14/h2-10,12,16H,11H2,1H3/p+1/t16-/m0/s1