[3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-chloranylbenzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-chloranylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H15ClF3NO4S MolecularWeight: 529.91481

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H15ClF3NO4S/c1-2-13-11-16-19(12-18(13)35-25(33)14-7-9-15(27)10-8-14)34-23(26(28,29)30)21(22(16)32)24-31-17-5-3-4-6-20(17)36-24/h3-12H,2H2,1H3