methyl 2-[2-(2-methylpropyl)-1,3-benzothiazol-5-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-methylpropyl)-1,3-benzothiazol-5-yl]ethanoate Openeye Name: methyl 2-(2-isobutyl-1,3-benzothiazol-5-yl)acetate CAS Name: 2-[2-(2-methylpropyl)-1,3-benzothiazol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-methylpropyl)-1,3-benzothiazol-5-yl]acetate Traditional Name: 2-(2-isobutyl-1,3-benzothiazol-5-yl)acetic acid methyl ester Formula: C14H17NO2S MolecularWeight: 263.35528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=C(S1)C=CC(=C2)CC(=O)OC

Isomeric SMILES

CC(C)CC1=NC2=C(S1)C=CC(=C2)CC(=O)OC

InChI

InChI=1S/C14H17NO2S/c1-9(2)6-13-15-11-7-10(8-14(16)17-3)4-5-12(11)18-13/h4-5,7,9H,6,8H2,1-3H3