2-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]ethyl 4-chloranylbenzoate

Systemtic Name: 2-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]ethyl 4-chloranylbenzoate Openeye Name: 2-[4-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)-1-piperidyl]ethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]ethyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-[4-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)piperidino]ethyl ester Formula: C16H18ClN3O3S MolecularWeight: 367.85042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NNC(=S)O2)CCOC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C2=NNC(=S)O2)CCOC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN3O3S/c17-13-3-1-12(2-4-13)15(21)22-10-9-20-7-5-11(6-8-20)14-18-19-16(24)23-14/h1-4,11H,5-10H2,(H,19,24)