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

Systemtic Name: ethyl 2-[[4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]amino]-2-phenyl-ethanoate Openeye Name: ethyl 2-[4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]anilino]-2-phenyl-acetate CAS Name: 2-[4-[[2-(ethylthio)-5-(hydroxymethyl)-1-imidazolyl]methyl]anilino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]anilino]-2-phenylacetate Traditional Name: 2-[4-[[2-(ethylthio)-5-methylol-imidazol-1-yl]methyl]anilino]-2-phenyl-acetic acid ethyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)NC2=CC=C(C=C2)CN3C(=CN=C3SCC)CO

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)NC2=CC=C(C=C2)CN3C(=CN=C3SCC)CO

InChI

InChI=1S/C23H27N3O3S/c1-3-29-22(28)21(18-8-6-5-7-9-18)25-19-12-10-17(11-13-19)15-26-20(16-27)14-24-23(26)30-4-2/h5-14,21,25,27H,3-4,15-16H2,1-2H3