methyl 4-[(E)-3-methylpent-1-enyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-[(E)-3-methylpent-1-enyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-[(E)-3-methylpent-1-enyl]benzothiophene-2-carboxylate CAS Name: 4-[(E)-3-methylpent-1-enyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-3-methylpent-1-enyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-[(E)-3-methylpent-1-enyl]benzothiophene-2-carboxylic acid methyl ester Formula: C16H18O2S MolecularWeight: 274.37792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C=CC1=C2C=C(SC2=CC=C1)C(=O)OC

Isomeric SMILES

CCC(C)/C=C/C1=C2C=C(SC2=CC=C1)C(=O)OC

InChI

InChI=1S/C16H18O2S/c1-4-11(2)8-9-12-6-5-7-14-13(12)10-15(19-14)16(17)18-3/h5-11H,4H2,1-3H3/b9-8+