1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-one

Systemtic Name: 1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-one Openeye Name: 1-(2-isopropyl-5-methyl-phenoxy)-3-(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-one CAS Name: 1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-(5-methyl-2-propan-2-ylphenoxy)-2-propanone IUPAC Name: 1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-one Traditional Name: 1-(2-isopropyl-5-methyl-phenoxy)-3-(3-methyl-1,3-benzothiazol-2-ylidene)acetone Formula: C21H23NO2S MolecularWeight: 353.47782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)C=C2N(C3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)C=C2N(C3=CC=CC=C3S2)C

InChI

InChI=1S/C21H23NO2S/c1-14(2)17-10-9-15(3)11-19(17)24-13-16(23)12-21-22(4)18-7-5-6-8-20(18)25-21/h5-12,14H,13H2,1-4H3