[4-[(E)-[1-(2-ethoxyphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]phenyl] propanoate

Systemtic Name: [4-[(E)-[1-(2-ethoxyphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]phenyl] propanoate Openeye Name: [4-[(E)-[1-(2-ethoxyphenyl)-5-oxo-2-thioxo-imidazolidin-4-ylidene]methyl]phenyl] propanoate CAS Name: propanoic acid [4-[(E)-[1-(2-ethoxyphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[1-(2-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl] propanoate Traditional Name: propionic acid [4-[(E)-(5-keto-1-o-phenetyl-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)C3=CC=CC=C3OCC

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)N2)C3=CC=CC=C3OCC

InChI

InChI=1S/C21H20N2O4S/c1-3-19(24)27-15-11-9-14(10-12-15)13-16-20(25)23(21(28)22-16)17-7-5-6-8-18(17)26-4-2/h5-13H,3-4H2,1-2H3,(H,22,28)/b16-13+