2-[(5E)-5-[(2,5-dimethyl-1-pyridin-4-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-4-yl-pyrrol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5E)-5-[[2,5-dimethyl-1-(4-pyridyl)pyrrol-3-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5E)-5-[(2,5-dimethyl-1-pyridin-4-yl-3-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5E)-5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5E)-5-[[2,5-dimethyl-1-(4-pyridyl)pyrrol-3-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]acetate Formula: C17H14N3O3S2- MolecularWeight: 372.44136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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