4-methyl-1-(2-methyl-1,3-benzothiazol-6-yl)pentan-1-one

Systemtic Name: 4-methyl-1-(2-methyl-1,3-benzothiazol-6-yl)pentan-1-one Openeye Name: 4-methyl-1-(2-methyl-1,3-benzothiazol-6-yl)pentan-1-one CAS Name: 4-methyl-1-(2-methyl-1,3-benzothiazol-6-yl)-1-pentanone IUPAC Name: 4-methyl-1-(2-methyl-1,3-benzothiazol-6-yl)pentan-1-one Traditional Name: 4-methyl-1-(2-methyl-1,3-benzothiazol-6-yl)pentan-1-one Formula: C14H17NOS MolecularWeight: 247.35588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)C(=O)CCC(C)C

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)C(=O)CCC(C)C

InChI

InChI=1S/C14H17NOS/c1-9(2)4-7-13(16)11-5-6-12-14(8-11)17-10(3)15-12/h5-6,8-9H,4,7H2,1-3H3