butyl 4-[6-(5-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoylamino]benzoate

Systemtic Name: butyl 4-[6-(5-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoylamino]benzoate Openeye Name: butyl 4-[6-(5-methyl-4-oxo-2-thioxo-thiazolidin-3-yl)hexanoylamino]benzoate CAS Name: 4-[[6-(5-methyl-4-oxo-2-sulfanylidene-3-thiazolidinyl)-1-oxohexyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoylamino]benzoate Traditional Name: 4-[6-(4-keto-5-methyl-2-thioxo-thiazolidin-3-yl)hexanoylamino]benzoic acid butyl ester Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C(SC2=S)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C(SC2=S)C

InChI

InChI=1S/C21H28N2O4S2/c1-3-4-14-27-20(26)16-9-11-17(12-10-16)22-18(24)8-6-5-7-13-23-19(25)15(2)29-21(23)28/h9-12,15H,3-8,13-14H2,1-2H3,(H,22,24)