[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(thiophen-2-ylmethylsulfanyl)ethanoate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C16H13N3O5S2 MolecularWeight: 391.42152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CSCC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CSCC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S2/c20-15(10-25-9-13-2-1-7-26-13)23-8-14-17-18-16(24-14)11-3-5-12(6-4-11)19(21)22/h1-7H,8-10H2