N-(4-fluoranyl-2-methoxy-phenyl)-1,1,3-tris(oxidanylidene)-2-prop-2-ynyl-1,2-benzothiazole-6-carboxamide

Systemtic Name: N-(4-fluoranyl-2-methoxy-phenyl)-1,1,3-tris(oxidanylidene)-2-prop-2-ynyl-1,2-benzothiazole-6-carboxamide Openeye Name: N-(4-fluoro-2-methoxy-phenyl)-1,1,3-trioxo-2-prop-2-ynyl-1,2-benzothiazole-6-carboxamide CAS Name: N-(4-fluoro-2-methoxyphenyl)-1,1,3-trioxo-2-prop-2-ynyl-1,2-benzothiazole-6-carboxamide IUPAC Name: N-(4-fluoro-2-methoxyphenyl)-1,1,3-trioxo-2-prop-2-ynyl-1,2-benzothiazole-6-carboxamide Traditional Name: N-(4-fluoro-2-methoxy-phenyl)-1,1,3-triketo-2-propargyl-1,2-benzothiazole-6-carboxamide Formula: C18H13FN2O5S MolecularWeight: 388.369623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)F)NC(=O)C2=CC3=C(C=C2)C(=O)N(S3(=O)=O)CC#C

Isomeric SMILES

COC1=C(C=CC(=C1)F)NC(=O)C2=CC3=C(C=C2)C(=O)N(S3(=O)=O)CC#C

InChI

InChI=1S/C18H13FN2O5S/c1-3-8-21-18(23)13-6-4-11(9-16(13)27(21,24)25)17(22)20-14-7-5-12(19)10-15(14)26-2/h1,4-7,9-10H,8H2,2H3,(H,20,22)