3-methylbutyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 3-methylbutyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopentyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isoamyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C

Isomeric SMILES

CC(C)CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C

InChI

InChI=1S/C16H23NO3S/c1-10(2)8-9-20-16(19)14-12-6-4-5-7-13(12)21-15(14)17-11(3)18/h10H,4-9H2,1-3H3,(H,17,18)