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

Systemtic Name: methyl 2-methoxy-5-[[(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)amino]methyl]benzoate CAS Name: 2-methoxy-5-[[[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)amino]methyl]benzoate Traditional Name: 2-methoxy-5-[[[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-27-18-10-9-14(11-16(18)20(26)28-2)12-22-19(25)17-13-23-21(29-3)24(17)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,22,25)