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

Systemtic Name: 4-[[2-methoxy-4-[(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-methoxy-4-[(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-methoxy-4-[(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-methoxy-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16N2O5S/c1-25-16-9-12(8-14-17(22)21-19(27)20-14)4-7-15(16)26-10-11-2-5-13(6-3-11)18(23)24/h2-9H,10H2,1H3,(H,23,24)(H2,20,21,22,27)