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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H18F3NO4S MolecularWeight: 509.49633

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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)C

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)C

InChI

InChI=1S/C27H18F3NO4S/c1-3-15-12-17-20(13-19(15)35-26(33)16-10-8-14(2)9-11-16)34-24(27(28,29)30)22(23(17)32)25-31-18-6-4-5-7-21(18)36-25/h4-13H,3H2,1-2H3