6-[(5E)-5-[(2-methyl-2H-chromen-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[(5E)-5-[(2-methyl-2H-chromen-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5E)-5-[(2-methyl-2H-chromen-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5E)-5-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5E)-5-[(2-methyl-2H-chromen-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5E)-4-keto-5-[(2-methyl-2H-chromen-3-yl)methylene]-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C20H21NO4S2 MolecularWeight: 403.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC2=CC=CC=C2O1)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O

Isomeric SMILES

CC1C(=CC2=CC=CC=C2O1)/C=C/3\C(=O)N(C(=S)S3)CCCCCC(=O)O

InChI

InChI=1S/C20H21NO4S2/c1-13-15(11-14-7-4-5-8-16(14)25-13)12-17-19(24)21(20(26)27-17)10-6-2-3-9-18(22)23/h4-5,7-8,11-13H,2-3,6,9-10H2,1H3,(H,22,23)/b17-12+