ethanedioic acid; 4-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethyl]morpholine

Systemtic Name: ethanedioic acid; 4-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethyl]morpholine Openeye Name: oxalic acid; 4-[2-[5-phenyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylethyl]morpholine CAS Name: oxalic acid; 4-[2-[[1-(2-oxolanylmethyl)-5-phenyl-2-imidazolyl]thio]ethyl]morpholine IUPAC Name: oxalic acid; 4-[2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylethyl]morpholine Traditional Name: oxalic acid; 4-[2-[[5-phenyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]ethyl]morpholine Formula: C22H29N3O6S MolecularWeight: 463.54716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=CN=C2SCCN3CCOCC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(OC1)CN2C(=CN=C2SCCN3CCOCC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27N3O2S.C2H2O4/c1-2-5-17(6-3-1)19-15-21-20(23(19)16-18-7-4-11-25-18)26-14-10-22-8-12-24-13-9-22;3-1(4)2(5)6/h1-3,5-6,15,18H,4,7-14,16H2;(H,3,4)(H,5,6)