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

Systemtic Name: ethyl 4-[2-(1-cyclopentylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-cyclopentylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-cyclopentyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-cyclopentylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-cyclopentylimidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S/c1-2-25-18(24)14-7-9-15(10-8-14)21-17(23)13-26-19-20-11-12-22(19)16-5-3-4-6-16/h7-12,16H,2-6,13H2,1H3,(H,21,23)