ethyl 4-[2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-cyclopentyl-5-(hydroxymethyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-cyclopentyl-5-methylol-imidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(N2C3CCCC3)CO

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(N2C3CCCC3)CO

InChI

InChI=1S/C20H25N3O4S/c1-2-27-19(26)14-7-9-15(10-8-14)22-18(25)13-28-20-21-11-17(12-24)23(20)16-5-3-4-6-16/h7-11,16,24H,2-6,12-13H2,1H3,(H,22,25)