8-[(5Z)-5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]octanoic acid

Systemtic Name: 8-[(5Z)-5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]octanoic acid Openeye Name: 8-[(5Z)-5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]octanoic acid CAS Name: 8-[(5Z)-5-[(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]octanoic acid IUPAC Name: 8-[(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]octanoic acid Traditional Name: 8-[(5Z)-5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]caprylic acid Formula: C24H28N2O3S2 MolecularWeight: 456.62072

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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)CCCCCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C\3/C(=O)N(C(=S)S3)CCCCCCCC(=O)O

InChI

InChI=1S/C24H28N2O3S2/c1-17-15-19(18(2)26(17)20-11-7-6-8-12-20)16-21-23(29)25(24(30)31-21)14-10-5-3-4-9-13-22(27)28/h6-8,11-12,15-16H,3-5,9-10,13-14H2,1-2H3,(H,27,28)/b21-16-