methyl 4-[2-(1-cyclopentylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1-cyclopentylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-cyclopentylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-cyclopentyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-cyclopentylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-cyclopentylimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3CCCC3

InChI

InChI=1S/C18H21N3O3S/c1-24-17(23)13-6-8-14(9-7-13)20-16(22)12-25-18-19-10-11-21(18)15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,20,22)