6-[5-[(2-chloranyl-7-methyl-quinolin-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[5-[(2-chloranyl-7-methyl-quinolin-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[5-[(2-chloro-7-methyl-3-quinolyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[5-[(2-chloro-7-methyl-3-quinolinyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[5-[(2-chloro-7-methyl-3-quinolyl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C20H19ClN2O3S2 MolecularWeight: 434.95946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)Cl

InChI

InChI=1S/C20H19ClN2O3S2/c1-12-6-7-13-10-14(18(21)22-15(13)9-12)11-16-19(26)23(20(27)28-16)8-4-2-3-5-17(24)25/h6-7,9-11H,2-5,8H2,1H3,(H,24,25)