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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-fluoranylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic 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] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H13F4NO4S MolecularWeight: 499.433633

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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)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)OC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H13F4NO4S/c1-12-17(33-24(32)13-6-8-14(26)9-7-13)11-10-15-20(31)19(22(25(27,28)29)34-21(12)15)23-30-16-4-2-3-5-18(16)35-23/h2-11H,1H3