[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N4O4S MolecularWeight: 430.52054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C21H26N4O4S/c1-14(19(27)23-15-7-3-4-8-15)29-20(28)16-9-5-6-10-17(16)24-18(26)13-30-21-22-11-12-25(21)2/h5-6,9-12,14-15H,3-4,7-8,13H2,1-2H3,(H,23,27)(H,24,26)