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

Systemtic Name: methyl 4-[2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4,5-dimethyl-1-(2-oxolanylmethyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4,5-dimethyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)CC3CCCO3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)CC3CCCO3)C

InChI

InChI=1S/C20H25N3O4S/c1-13-14(2)23(11-17-5-4-10-27-17)20(21-13)28-12-18(24)22-16-8-6-15(7-9-16)19(25)26-3/h6-9,17H,4-5,10-12H2,1-3H3,(H,22,24)