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

Systemtic Name: (E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enoate Openeye Name: (E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enoate CAS Name: (E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)thio]-3-[3-nitro-4-(1-pyrrolidinyl)phenyl]-2-propenoate IUPAC Name: (E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enoate Traditional Name: (E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)thio]-3-(3-nitro-4-pyrrolidino-phenyl)acrylate Formula: C17H17N4O5S- MolecularWeight: 389.40568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(O1)SC(=CC2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1=NN=C(O1)S/C(=C/C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C17H18N4O5S/c1-2-15-18-19-17(26-15)27-14(16(22)23)10-11-5-6-12(13(9-11)21(24)25)20-7-3-4-8-20/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23)/p-1/b14-10+