ethyl 4-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[5-phenyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[[1-(2-oxolanylmethyl)-5-phenyl-2-imidazolyl]thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[5-phenyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC=C(N1CC2CCCO2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC=C(N1CC2CCCO2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4S/c1-2-28-21(27)11-6-12-23-20(26)16-30-22-24-14-19(17-8-4-3-5-9-17)25(22)15-18-10-7-13-29-18/h3-5,8-9,14,18H,2,6-7,10-13,15-16H2,1H3,(H,23,26)