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

Systemtic Name: 6-[(5Z)-5-(2H-chromen-3-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5Z)-5-(2H-chromen-3-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5Z)-5-(2H-1-benzopyran-3-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5Z)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5Z)-5-(2H-chromen-3-ylmethylene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C19H19NO4S2 MolecularWeight: 389.48846

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC=CC=C2O1)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O

Isomeric SMILES

C1C(=CC2=CC=CC=C2O1)/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)O

InChI

InChI=1S/C19H19NO4S2/c21-17(22)8-2-1-5-9-20-18(23)16(26-19(20)25)11-13-10-14-6-3-4-7-15(14)24-12-13/h3-4,6-7,10-11H,1-2,5,8-9,12H2,(H,21,22)/b16-11-