4-[[2-ethoxy-4-[(Z)-(1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-ethoxy-4-[(Z)-(1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-ethoxy-4-[(Z)-(1-methyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-ethoxy-4-[(Z)-(1-methyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-ethoxy-4-[(Z)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-ethoxy-4-[(Z)-(5-keto-1-methyl-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N2)C)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)N2)C)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H20N2O5S/c1-3-27-18-11-14(10-16-19(24)23(2)21(29)22-16)6-9-17(18)28-12-13-4-7-15(8-5-13)20(25)26/h4-11H,3,12H2,1-2H3,(H,22,29)(H,25,26)/b16-10-