[2-methoxy-4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]phenyl] furan-2-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]phenyl] furan-2-carboxylate Openeye Name: [2-methoxy-4-[(E)-(5-phenyl-2-thioxo-1H-imidazol-3-yl)iminomethyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [2-methoxy-4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [2-methoxy-4-[(E)-(4-phenyl-2-thioxo-4-imidazolin-1-yl)iminomethyl]phenyl] ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C=C(NC2=S)C3=CC=CC=C3)OC(=O)C4=CC=CO4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/N2C=C(NC2=S)C3=CC=CC=C3)OC(=O)C4=CC=CO4

InChI

InChI=1S/C22H17N3O4S/c1-27-20-12-15(9-10-18(20)29-21(26)19-8-5-11-28-19)13-23-25-14-17(24-22(25)30)16-6-3-2-4-7-16/h2-14H,1H3,(H,24,30)/b23-13+