6-[5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[5-[(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S2/c1-15-13-17(16(2)24(15)18-9-5-3-6-10-18)14-19-21(27)23(22(28)29-19)12-8-4-7-11-20(25)26/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H,25,26)