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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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