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

Systemtic Name: (E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enoate Openeye Name: (E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-[3-nitro-4-(1-piperidyl)phenyl]prop-2-enoate CAS Name: (E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)thio]-3-[3-nitro-4-(1-piperidinyl)phenyl]-2-propenoate IUPAC Name: (E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enoate Traditional Name: (E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)thio]-3-(3-nitro-4-piperidino-phenyl)acrylate Formula: C18H19N4O5S- MolecularWeight: 403.43226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(O1)SC(=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1=NN=C(O1)S/C(=C/C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C18H20N4O5S/c1-2-16-19-20-18(27-16)28-15(17(23)24)11-12-6-7-13(14(10-12)22(25)26)21-8-4-3-5-9-21/h6-7,10-11H,2-5,8-9H2,1H3,(H,23,24)/p-1/b15-11+