ethyl (2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl (2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H17FN2O4S2 MolecularWeight: 408.466983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN\1C2=C(C=C(C=C2)C(=O)OCC)S/C1=N\S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN2O4S2/c1-3-21-15-10-5-12(17(22)25-4-2)11-16(15)26-18(21)20-27(23,24)14-8-6-13(19)7-9-14/h5-11H,3-4H2,1-2H3/b20-18-