methyl 4-[[2-methoxy-4-[(E)-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-methoxy-4-[(E)-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-methoxy-4-[(E)-(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-methoxy-4-[(E)-(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-methoxy-4-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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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)OC

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)N2)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18N2O5S/c1-25-17-10-13(9-15-18(23)22-20(28)21-15)5-8-16(17)27-11-12-3-6-14(7-4-12)19(24)26-2/h3-10H,11H2,1-2H3,(H2,21,22,23,28)/b15-9+