(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enoate

Systemtic Name: (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enoate Openeye Name: (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-[3-nitro-4-(1-piperidyl)phenyl]prop-2-enoate CAS Name: (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)thio]-3-[3-nitro-4-(1-piperidinyl)phenyl]-2-propenoate IUPAC Name: (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enoate Traditional Name: (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)thio]-3-(3-nitro-4-piperidino-phenyl)acrylate Formula: C17H17N4O5S- MolecularWeight: 389.40568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)SC(=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=NN=C(O1)S/C(=C/C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C17H18N4O5S/c1-11-18-19-17(26-11)27-15(16(22)23)10-12-5-6-13(14(9-12)21(24)25)20-7-3-2-4-8-20/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23)/p-1/b15-10+