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

Systemtic Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-(furan-2-ylmethyl)-3-oxidanylidene-3-thiophen-2-yl-propanimidothioate Openeye Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-(2-furylmethyl)-3-oxo-3-(2-thienyl)propanimidothioate CAS Name: (2R)-2-(4-tert-butyl-1-pyridin-1-iumyl)-N-(2-furanylmethyl)-3-oxo-3-thiophen-2-ylpropanimidothioate IUPAC Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-(furan-2-ylmethyl)-3-oxo-3-thiophen-2-ylpropanimidothioate Traditional Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-(2-furfuryl)-3-keto-3-(2-thienyl)thiopropionimidate Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S2/c1-21(2,3)15-8-10-23(11-9-15)18(19(24)17-7-5-13-27-17)20(26)22-14-16-6-4-12-25-16/h4-13,18H,14H2,1-3H3/t18-/m1/s1