(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[3-nitro-4-(1-pyrrolidinyl)phenyl]-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-nitro-4-pyrrolidino-phenyl)acrylate Formula: C20H16N3O5S- MolecularWeight: 410.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C=C(C(=O)[O-])SC3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)/C=C(\C(=O)[O-])/SC3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S/c24-19(25)18(29-20-21-14-5-1-2-6-17(14)28-20)12-13-7-8-15(16(11-13)23(26)27)22-9-3-4-10-22/h1-2,5-8,11-12H,3-4,9-10H2,(H,24,25)/p-1/b18-12+