1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl 1-[(2-chlorophenyl)methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinecarboxylic acid 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl ester IUPAC Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate Traditional Name: 1-(2-chlorobenzyl)-6-keto-nicotinic acid 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=CS2)OC(=O)C3=CN(C(=O)C=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=CS2)OC(=O)C3=CN(C(=O)C=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H16ClN3O4S/c1-13(19-23-24-20(29-19)17-7-4-10-30-17)28-21(27)15-8-9-18(26)25(12-15)11-14-5-2-3-6-16(14)22/h2-10,12-13H,11H2,1H3