ethyl 2-[[4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]phenyl]amino]-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[[4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]phenyl]amino]-2-phenyl-ethanoate Openeye Name: ethyl 2-[4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]anilino]-2-phenyl-acetate CAS Name: 2-[4-[[5-(hydroxymethyl)-2-(methylthio)-1-imidazolyl]methyl]anilino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[5-(hydroxymethyl)-2-methylsulfanylimidazol-1-yl]methyl]anilino]-2-phenylacetate Traditional Name: 2-[4-[[5-methylol-2-(methylthio)imidazol-1-yl]methyl]anilino]-2-phenyl-acetic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)NC2=CC=C(C=C2)CN3C(=CN=C3SC)CO

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)NC2=CC=C(C=C2)CN3C(=CN=C3SC)CO

InChI

InChI=1S/C22H25N3O3S/c1-3-28-21(27)20(17-7-5-4-6-8-17)24-18-11-9-16(10-12-18)14-25-19(15-26)13-23-22(25)29-2/h4-13,20,24,26H,3,14-15H2,1-2H3