5-[2,5-dimethyl-3-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2,5-dimethyl-3-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[2,5-dimethyl-3-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[2,5-dimethyl-3-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-pyrrolyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[2,5-dimethyl-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]isophthalic acid Formula: C18H14N2O5S2 MolecularWeight: 402.44416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C3C(=O)NC(=S)S3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C3C(=O)NC(=S)S3

InChI

InChI=1S/C18H14N2O5S2/c1-8-3-10(7-14-15(21)19-18(26)27-14)9(2)20(8)13-5-11(16(22)23)4-12(6-13)17(24)25/h3-7H,1-2H3,(H,22,23)(H,24,25)(H,19,21,26)