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

Systemtic Name: sodium 2-[[4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]amino]-2-phenyl-ethanoate Openeye Name: sodium 2-[4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]anilino]-2-phenyl-acetate CAS Name: sodium 2-[4-[[2-(ethylthio)-5-(hydroxymethyl)-1-imidazolyl]methyl]anilino]-2-phenylacetate IUPAC Name: sodium 2-[4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]anilino]-2-phenylacetate Traditional Name: sodium 2-[4-[[2-(ethylthio)-5-methylol-imidazol-1-yl]methyl]anilino]-2-phenyl-acetate Formula: C21H22N3NaO3S MolecularWeight: 419.47245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(N1CC2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)[O-])CO.[Na+]

Isomeric SMILES

CCSC1=NC=C(N1CC2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)[O-])CO.[Na+]

InChI

InChI=1S/C21H23N3O3S.Na/c1-2-28-21-22-12-18(14-25)24(21)13-15-8-10-17(11-9-15)23-19(20(26)27)16-6-4-3-5-7-16;/h3-12,19,23,25H,2,13-14H2,1H3,(H,26,27);/q;+1/p-1