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

Systemtic Name: methyl 4-[2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-26-18(25)13-6-8-14(9-7-13)21-17(24)12-27-19-20-10-16(11-23)22(19)15-4-2-3-5-15/h6-10,15,23H,2-5,11-12H2,1H3,(H,21,24)