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

Systemtic Name: methyl 2-methoxy-5-[[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[(3-phenyl-2-thioxo-1H-imidazole-4-carbonyl)amino]methyl]benzoate CAS Name: 2-methoxy-5-[[[oxo-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)amino]methyl]benzoate Traditional Name: 2-methoxy-5-[[(3-phenyl-2-thioxo-4-imidazoline-4-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-26-17-9-8-13(10-15(17)19(25)27-2)11-21-18(24)16-12-22-20(28)23(16)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,28)