N-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-thiochromen-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-thiochromen-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-(3,4-dimethoxyphenyl)-4-oxo-thiochromen-2-yl]-2-fluoro-benzamide CAS Name: N-[3-(3,4-dimethoxyphenyl)-4-oxo-1-benzothiopyran-2-yl]-2-fluorobenzamide IUPAC Name: N-[3-(3,4-dimethoxyphenyl)-4-oxothiochromen-2-yl]-2-fluorobenzamide Traditional Name: N-[3-(3,4-dimethoxyphenyl)-4-keto-thiochromen-2-yl]-2-fluoro-benzamide Formula: C24H18FNO4S MolecularWeight: 435.467423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(SC3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(SC3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4F)OC

InChI

InChI=1S/C24H18FNO4S/c1-29-18-12-11-14(13-19(18)30-2)21-22(27)16-8-4-6-10-20(16)31-24(21)26-23(28)15-7-3-5-9-17(15)25/h3-13H,1-2H3,(H,26,28)