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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C(SC2=S)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C(SC2=S)C

InChI

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