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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-methoxybenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H16F3NO5S MolecularWeight: 511.46915

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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)OC

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)OC

InChI

InChI=1S/C26H16F3NO5S/c1-13-18(34-25(32)14-7-9-15(33-2)10-8-14)12-11-16-21(31)20(23(26(27,28)29)35-22(13)16)24-30-17-5-3-4-6-19(17)36-24/h3-12H,1-2H3