2-[(5E)-5-[(2,5-dimethyl-1-pyridin-1-ium-3-yl-pyrrol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate

Systemtic Name: 2-[(5E)-5-[(2,5-dimethyl-1-pyridin-1-ium-3-yl-pyrrol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5E)-5-[(2,5-dimethyl-1-pyridin-1-ium-3-yl-pyrrol-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5E)-5-[[2,5-dimethyl-1-(3-pyridin-1-iumyl)-3-pyrrolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5E)-5-[(2,5-dimethyl-1-pyridin-1-ium-3-ylpyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5E)-5-[(2,5-dimethyl-1-pyridin-1-ium-3-yl-pyrrol-3-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]acetate Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C[NH+]=CC=C2)C)C=C3C(=O)N(C(=S)S3)CC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=C[NH+]=CC=C2)C)/C=C/3\C(=O)N(C(=S)S3)CC(=O)[O-]

InChI

InChI=1S/C17H15N3O3S2/c1-10-6-12(11(2)20(10)13-4-3-5-18-8-13)7-14-16(23)19(9-15(21)22)17(24)25-14/h3-8H,9H2,1-2H3,(H,21,22)/b14-7+