4-[6-[(5E)-4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoate

Systemtic Name: 4-[6-[(5E)-4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoate Openeye Name: 4-[6-[(5E)-4-oxo-5-(2-thienylmethylene)-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoate CAS Name: 4-[[1-oxo-6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-thiazolidinyl]hexyl]amino]benzoate IUPAC Name: 4-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoate Traditional Name: 4-[6-[(5E)-4-keto-5-(2-thenylidene)-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoate Formula: C21H19N2O4S3- MolecularWeight: 459.58156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCCCCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H20N2O4S3/c24-18(22-15-9-7-14(8-10-15)20(26)27)6-2-1-3-11-23-19(25)17(30-21(23)28)13-16-5-4-12-29-16/h4-5,7-10,12-13H,1-3,6,11H2,(H,22,24)(H,26,27)/p-1/b17-13+