(2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-3-thiophen-2-yl-propanimidothioate

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-3-thiophen-2-yl-propanimidothioate Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-pyridin-1-ium-1-yl-3-(2-thienyl)propanimidothioate CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(1-pyridin-1-iumyl)-3-thiophen-2-ylpropanimidothioate IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-pyridin-1-ium-1-yl-3-thiophen-2-ylpropanimidothioate Traditional Name: (2R)-3-keto-N-piperonyl-2-pyridin-1-ium-1-yl-3-(2-thienyl)thiopropionimidate Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN=C(C(C(=O)C3=CC=CS3)[N+]4=CC=CC=C4)[S-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN=C([C@@H](C(=O)C3=CC=CS3)[N+]4=CC=CC=C4)[S-]

InChI

InChI=1S/C20H16N2O3S2/c23-19(17-5-4-10-27-17)18(22-8-2-1-3-9-22)20(26)21-12-14-6-7-15-16(11-14)25-13-24-15/h1-11,18H,12-13H2/t18-/m1/s1