methyl 4-[[2-(cyclopentylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-(2-thiophen-2-ylethanoyl)amino]benzoate

Systemtic Name: methyl 4-[[2-(cyclopentylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-(2-thiophen-2-ylethanoyl)amino]benzoate Openeye Name: methyl 4-[[2-(cyclopentylamino)-2-oxo-1-(4-pyridyl)ethyl]-[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4-[[2-(cyclopentylamino)-2-keto-1-(4-pyridyl)ethyl]-[2-(2-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)CC4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C26H27N3O4S/c1-33-26(32)19-8-10-21(11-9-19)29(23(30)17-22-7-4-16-34-22)24(18-12-14-27-15-13-18)25(31)28-20-5-2-3-6-20/h4,7-16,20,24H,2-3,5-6,17H2,1H3,(H,28,31)