methyl 3-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[5-phenyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[[1-(2-oxolanylmethyl)-5-phenyl-2-imidazolyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[5-phenyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4S/c1-30-23(29)18-9-5-10-19(13-18)26-22(28)16-32-24-25-14-21(17-7-3-2-4-8-17)27(24)15-20-11-6-12-31-20/h2-5,7-10,13-14,20H,6,11-12,15-16H2,1H3,(H,26,28)