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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] ethanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C21H14F3NO4S MolecularWeight: 433.40037

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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H14F3NO4S/c1-3-11-8-12-15(9-14(11)28-10(2)26)29-19(21(22,23)24)17(18(12)27)20-25-13-6-4-5-7-16(13)30-20/h4-9H,3H2,1-2H3