propan-2-yl 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid isopropyl ester Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5S/c1-8(2)20-11(17)7-22-13-15-14-12(21-13)9-3-5-10(6-4-9)16(18)19/h3-6,8H,7H2,1-2H3