3-[3-[(5E)-5-[(2-methoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoate

Systemtic Name: 3-[3-[(5E)-5-[(2-methoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoate Openeye Name: 3-[3-[(5E)-5-[(2-methoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoate CAS Name: 3-[[3-[(5E)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]benzoate IUPAC Name: 3-[3-[(5E)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoate Traditional Name: 3-[3-[(5E)-4-keto-5-o-anisylidene-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoate Formula: C21H17N2O5S2- MolecularWeight: 441.50008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C21H18N2O5S2/c1-28-16-8-3-2-5-13(16)12-17-19(25)23(21(29)30-17)10-9-18(24)22-15-7-4-6-14(11-15)20(26)27/h2-8,11-12H,9-10H2,1H3,(H,22,24)(H,26,27)/p-1/b17-12+