N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonyl-propanamide

Systemtic Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonyl-propanamide Openeye Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonyl-propanamide CAS Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonylpropanamide IUPAC Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonylpropanamide Traditional Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonyl-propionamide Formula: C18H16FN3O5S2 MolecularWeight: 437.465143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3O5S2/c1-2-21-15-11-13(22(24)25)5-8-16(15)28-18(21)20-17(23)9-10-29(26,27)14-6-3-12(19)4-7-14/h3-8,11H,2,9-10H2,1H3