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

Systemtic Name: methyl 4-[4-(5-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoylamino]benzoate Openeye Name: methyl 4-[4-(5-ethyl-4-oxo-2-thioxo-thiazolidin-3-yl)butanoylamino]benzoate CAS Name: 4-[[4-(5-ethyl-4-oxo-2-sulfanylidene-3-thiazolidinyl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoylamino]benzoate Traditional Name: 4-[4-(5-ethyl-4-keto-2-thioxo-thiazolidin-3-yl)butanoylamino]benzoic acid methyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(=S)S1)CCCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC1C(=O)N(C(=S)S1)CCCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

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