1-(4-fluoranyl-3-nitro-phenyl)-3-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione

Systemtic Name: 1-(4-fluoranyl-3-nitro-phenyl)-3-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione Openeye Name: 1-(4-fluoro-3-nitro-phenyl)-3-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione CAS Name: 1-(4-fluoro-3-nitrophenyl)-3-[(5-methoxy-1,3-benzothiazol-2-yl)thio]pyrrolidine-2,5-dione IUPAC Name: 1-(4-fluoro-3-nitrophenyl)-3-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione Traditional Name: 1-(4-fluoro-3-nitro-phenyl)-3-[(5-methoxy-1,3-benzothiazol-2-yl)thio]pyrrolidine-2,5-quinone Formula: C18H12FN3O5S2 MolecularWeight: 433.433383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)SC3CC(=O)N(C3=O)C4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)SC3CC(=O)N(C3=O)C4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C18H12FN3O5S2/c1-27-10-3-5-14-12(7-10)20-18(28-14)29-15-8-16(23)21(17(15)24)9-2-4-11(19)13(6-9)22(25)26/h2-7,15H,8H2,1H3