methyl 4-methyl-3-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[5-phenyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[[1-(2-oxolanylmethyl)-5-phenyl-2-imidazolyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[[5-phenyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-17-10-11-19(24(30)31-2)13-21(17)27-23(29)16-33-25-26-14-22(18-7-4-3-5-8-18)28(25)15-20-9-6-12-32-20/h3-5,7-8,10-11,13-14,20H,6,9,12,15-16H2,1-2H3,(H,27,29)