N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C22H23FN4O6S2 MolecularWeight: 522.569623

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O6S2/c1-2-33-13-12-25-19-14-16(27(29)30)7-10-20(19)34-22(25)24-21(28)18-4-3-11-26(18)35(31,32)17-8-5-15(23)6-9-17/h5-10,14,18H,2-4,11-13H2,1H3