(2S)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-prop-2-enyl-3-thiophen-2-yl-propanimidothioate

Systemtic Name: (2S)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-prop-2-enyl-3-thiophen-2-yl-propanimidothioate Openeye Name: (2S)-N-allyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-3-(2-thienyl)propanimidothioate CAS Name: (2S)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxo-N-prop-2-enyl-3-thiophen-2-ylpropanimidothioate IUPAC Name: (2S)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-N-prop-2-enyl-3-thiophen-2-ylpropanimidothioate Traditional Name: (2S)-N-allyl-3-keto-2-(3-methylpyridin-1-ium-1-yl)-3-(2-thienyl)thiopropionimidate Formula: C16H16N2OS2 MolecularWeight: 316.44104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2OS2/c1-3-8-17-16(20)14(15(19)13-7-5-10-21-13)18-9-4-6-12(2)11-18/h3-7,9-11,14H,1,8H2,2H3/t14-/m0/s1