methyl 2-(2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: methyl 2-(2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: methyl 2-(2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(2-benzothiophen-1-yl)-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-isobenzothiophen-1-yl-3-methyl-butyric acid methyl ester Formula: C14H16O2S MolecularWeight: 248.34064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=CC=CC2=CS1)C(=O)OC

Isomeric SMILES

CC(C)C(C1=C2C=CC=CC2=CS1)C(=O)OC

InChI

InChI=1S/C14H16O2S/c1-9(2)12(14(15)16-3)13-11-7-5-4-6-10(11)8-17-13/h4-9,12H,1-3H3