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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-methylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic 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] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H16F3NO4S MolecularWeight: 495.46975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=C(C3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=C(C3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C26H16F3NO4S/c1-13-7-3-4-8-15(13)25(32)33-18-12-11-16-21(31)20(23(26(27,28)29)34-22(16)14(18)2)24-30-17-9-5-6-10-19(17)35-24/h3-12H,1-2H3