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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-cyclopentylpropanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic 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] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H22F3NO4S MolecularWeight: 501.51739

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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)CCC5CCCC5

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)OC(=O)CCC5CCCC5

InChI

InChI=1S/C26H22F3NO4S/c1-14-18(33-20(31)13-10-15-6-2-3-7-15)12-11-16-22(32)21(24(26(27,28)29)34-23(14)16)25-30-17-8-4-5-9-19(17)35-25/h4-5,8-9,11-12,15H,2-3,6-7,10,13H2,1H3