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

Systemtic Name: methyl 4-[6-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoylamino]benzoate Openeye Name: methyl 4-[6-(4-oxo-2-thioxo-thiazolidin-3-yl)hexanoylamino]benzoate CAS Name: 4-[[1-oxo-6-(4-oxo-2-sulfanylidene-3-thiazolidinyl)hexyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoylamino]benzoate Traditional Name: 4-[6-(4-keto-2-thioxo-thiazolidin-3-yl)hexanoylamino]benzoic acid methyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)CSC2=S

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)CSC2=S

InChI

InChI=1S/C17H20N2O4S2/c1-23-16(22)12-6-8-13(9-7-12)18-14(20)5-3-2-4-10-19-15(21)11-25-17(19)24/h6-9H,2-5,10-11H2,1H3,(H,18,20)