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

Systemtic Name: methyl 2-[6-(5-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoylamino]benzoate Openeye Name: methyl 2-[6-(5-methyl-4-oxo-2-thioxo-thiazolidin-3-yl)hexanoylamino]benzoate CAS Name: 2-[[6-(5-methyl-4-oxo-2-sulfanylidene-3-thiazolidinyl)-1-oxohexyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoylamino]benzoate Traditional Name: 2-[6-(4-keto-5-methyl-2-thioxo-thiazolidin-3-yl)hexanoylamino]benzoic acid methyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(=S)S1)CCCCCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1C(=O)N(C(=S)S1)CCCCCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C18H22N2O4S2/c1-12-16(22)20(18(25)26-12)11-7-3-4-10-15(21)19-14-9-6-5-8-13(14)17(23)24-2/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,19,21)