methyl 4-[5-[(Z)-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[(Z)-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[(Z)-(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(Z)-(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(Z)-(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]-2-furyl]benzoic acid methyl ester Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=O)NC(=S)N3

InChI

InChI=1S/C16H12N2O4S/c1-21-15(20)10-4-2-9(3-5-10)13-7-6-11(22-13)8-12-14(19)18-16(23)17-12/h2-8H,1H3,(H2,17,18,19,23)/b12-8-