[4-[(E)-[1-(3-ethoxypropyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]-2-methoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-[1-(3-ethoxypropyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-[1-(3-ethoxypropyl)-5-oxo-2-thioxo-imidazolidin-4-ylidene]methyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-[1-(3-ethoxypropyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[1-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-[1-(3-ethoxypropyl)-5-keto-2-thioxo-imidazolidin-4-ylidene]methyl]-2-methoxy-phenyl] ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC)NC1=S

Isomeric SMILES

CCOCCCN1C(=O)/C(=C\C2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC)/NC1=S

InChI

InChI=1S/C21H22N2O5S2/c1-3-27-10-5-9-23-19(24)15(22-21(23)29)12-14-7-8-16(17(13-14)26-2)28-20(25)18-6-4-11-30-18/h4,6-8,11-13H,3,5,9-10H2,1-2H3,(H,22,29)/b15-12+