3-(1,3-benzothiazol-2-yl)-3-(trifluoromethyl)-4H-isochromen-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-3-(trifluoromethyl)-4H-isochromen-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-3-(trifluoromethyl)isochroman-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-3-(trifluoromethyl)-4H-isochromen-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-3-(trifluoromethyl)isochroman-1-one Formula: C17H10F3NO2S MolecularWeight: 349.32701

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)OC1(C3=NC4=CC=CC=C4S3)C(F)(F)F

Isomeric SMILES

C1C2=CC=CC=C2C(=O)OC1(C3=NC4=CC=CC=C4S3)C(F)(F)F

InChI

InChI=1S/C17H10F3NO2S/c18-17(19,20)16(15-21-12-7-3-4-8-13(12)24-15)9-10-5-1-2-6-11(10)14(22)23-16/h1-8H,9H2