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

Systemtic Name: (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-nitro-2-pyrrolidin-1-yl-phenyl)prop-2-enoate Openeye Name: (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-nitro-2-pyrrolidin-1-yl-phenyl)prop-2-enoate CAS Name: (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)thio]-3-[5-nitro-2-(1-pyrrolidinyl)phenyl]-2-propenoate IUPAC Name: (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-nitro-2-pyrrolidin-1-ylphenyl)prop-2-enoate Traditional Name: (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)thio]-3-(5-nitro-2-pyrrolidino-phenyl)acrylate Formula: C16H15N4O5S- MolecularWeight: 375.3791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)SC(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C(=O)[O-]

Isomeric SMILES

CC1=NN=C(O1)S/C(=C/C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)/C(=O)[O-]

InChI

InChI=1S/C16H16N4O5S/c1-10-17-18-16(25-10)26-14(15(21)22)9-11-8-12(20(23)24)4-5-13(11)19-6-2-3-7-19/h4-5,8-9H,2-3,6-7H2,1H3,(H,21,22)/p-1/b14-9+