[3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] ethanoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] ethanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate CAS Name: acetic acid [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate Traditional Name: acetic acid [3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-2-(trifluoromethyl)chromen-7-yl] ester Formula: C20H12F3NO4S MolecularWeight: 419.37379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)OC(=O)C

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)OC(=O)C

InChI

InChI=1S/C20H12F3NO4S/c1-9-13(27-10(2)25)8-7-11-16(26)15(18(20(21,22)23)28-17(9)11)19-24-12-5-3-4-6-14(12)29-19/h3-8H,1-2H3