methyl 2-[methyl-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethanoyl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethanoyl]amino]benzoate Openeye Name: methyl 2-[methyl-[2-[5-phenyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[methyl-[1-oxo-2-[[1-(2-oxolanylmethyl)-5-phenyl-2-imidazolyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[methyl-[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:

CN(C1=CC=CC=C1C(=O)OC)C(=O)CSC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C(=O)CSC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4

InChI

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