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

Systemtic Name: ethyl 2-[[4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]phenyl]amino]-2-phenyl-ethanoate Openeye Name: ethyl 2-[4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]anilino]-2-phenyl-acetate CAS Name: 2-[4-[[5-(hydroxymethyl)-2-(propylthio)-1-imidazolyl]methyl]anilino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[5-(hydroxymethyl)-2-propylsulfanylimidazol-1-yl]methyl]anilino]-2-phenylacetate Traditional Name: 2-[4-[[5-methylol-2-(propylthio)imidazol-1-yl]methyl]anilino]-2-phenyl-acetic acid ethyl ester Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)OCC)CO

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)OCC)CO

InChI

InChI=1S/C24H29N3O3S/c1-3-14-31-24-25-15-21(17-28)27(24)16-18-10-12-20(13-11-18)26-22(23(29)30-4-2)19-8-6-5-7-9-19/h5-13,15,22,26,28H,3-4,14,16-17H2,1-2H3