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

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

Click to see the large picture

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=CC=C5Cl

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=CC=C5Cl

InChI

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