(2S)-N-[(4-methoxyphenyl)methyl]-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-3-thiophen-2-yl-propanimidothioate

Systemtic Name: (2S)-N-[(4-methoxyphenyl)methyl]-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-3-thiophen-2-yl-propanimidothioate Openeye Name: (2S)-N-[(4-methoxyphenyl)methyl]-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-3-(2-thienyl)propanimidothioate CAS Name: (2S)-N-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-pyridin-1-iumyl)-3-oxo-3-thiophen-2-ylpropanimidothioate IUPAC Name: (2S)-N-[(4-methoxyphenyl)methyl]-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-3-thiophen-2-ylpropanimidothioate Traditional Name: (2S)-3-keto-2-(3-methylpyridin-1-ium-1-yl)-N-p-anisyl-3-(2-thienyl)thiopropionimidate Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(C(=O)C2=CC=CS2)C(=NCC3=CC=C(C=C3)OC)[S-]

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@@H](C(=O)C2=CC=CS2)C(=NCC3=CC=C(C=C3)OC)[S-]

InChI

InChI=1S/C21H20N2O2S2/c1-15-5-3-11-23(14-15)19(20(24)18-6-4-12-27-18)21(26)22-13-16-7-9-17(25-2)10-8-16/h3-12,14,19H,13H2,1-2H3/t19-/m0/s1