4-[[(5E)-5-(2-methoxy-2-oxidanylidene-ethylidene)-4-oxidanylidene-3-phenethyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Systemtic Name: 4-[[(5E)-5-(2-methoxy-2-oxidanylidene-ethylidene)-4-oxidanylidene-3-phenethyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 4-[[(5E)-5-(2-methoxy-2-oxo-ethylidene)-4-oxo-3-phenethyl-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 4-[[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-phenethyl-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 4-[[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-phenethyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 4-[[(5E)-4-keto-5-(2-keto-2-methoxy-ethylidene)-3-phenethyl-thiazolidin-2-ylidene]amino]benzoic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1C(=O)N(C(=NC2=CC=C(C=C2)C(=O)O)S1)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C/1\C(=O)N(C(=NC2=CC=C(C=C2)C(=O)O)S1)CCC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O5S/c1-28-18(24)13-17-19(25)23(12-11-14-5-3-2-4-6-14)21(29-17)22-16-9-7-15(8-10-16)20(26)27/h2-10,13H,11-12H2,1H3,(H,26,27)/b17-13+,22-21?