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

Systemtic Name: butyl 4-[3-[(5E)-5-(furan-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoate Openeye Name: butyl 4-[3-[(5E)-5-(2-furylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoate CAS Name: 4-[[3-[(5E)-5-(2-furanylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoate Traditional Name: 4-[3-[(5E)-5-(2-furfurylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid butyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C(=CC3=CC=CO3)SC2=S

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)/C(=C\C3=CC=CO3)/SC2=S

InChI

InChI=1S/C22H22N2O5S2/c1-2-3-12-29-21(27)15-6-8-16(9-7-15)23-19(25)10-11-24-20(26)18(31-22(24)30)14-17-5-4-13-28-17/h4-9,13-14H,2-3,10-12H2,1H3,(H,23,25)/b18-14+