methyl 5-[[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]carbonylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]carbonylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[[3-(4-fluorophenyl)-2-thioxo-1H-imidazole-4-carbonyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carbonyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[3-(4-fluorophenyl)-2-thioxo-4-imidazoline-4-carbonyl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C20H18FN3O4S MolecularWeight: 415.438023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CNC(=S)N2C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CNC(=S)N2C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C20H18FN3O4S/c1-27-17-8-3-12(9-15(17)19(26)28-2)10-22-18(25)16-11-23-20(29)24(16)14-6-4-13(21)5-7-14/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,29)