(2R)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)-3-thiophen-2-yl-propanimidothioate

Systemtic Name: (2R)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)-3-thiophen-2-yl-propanimidothioate Openeye Name: (2R)-N-(2-furylmethyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)-3-(2-thienyl)propanimidothioate CAS Name: (2R)-N-(2-furanylmethyl)-3-oxo-2-(4-propyl-1-pyridin-1-iumyl)-3-thiophen-2-ylpropanimidothioate IUPAC Name: (2R)-N-(furan-2-ylmethyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)-3-thiophen-2-ylpropanimidothioate Traditional Name: (2R)-N-(2-furfuryl)-3-keto-2-(4-propylpyridin-1-ium-1-yl)-3-(2-thienyl)thiopropionimidate Formula: C20H20N2O2S2 MolecularWeight: 384.515

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(C(=O)C2=CC=CS2)C(=NCC3=CC=CO3)[S-]

Isomeric SMILES

CCCC1=CC=[N+](C=C1)[C@H](C(=O)C2=CC=CS2)C(=NCC3=CC=CO3)[S-]

InChI

InChI=1S/C20H20N2O2S2/c1-2-5-15-8-10-22(11-9-15)18(19(23)17-7-4-13-26-17)20(25)21-14-16-6-3-12-24-16/h3-4,6-13,18H,2,5,14H2,1H3/t18-/m1/s1