ethyl 4-butoxy-3-methylsulfanyl-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 4-butoxy-3-methylsulfanyl-2-benzothiophene-1-carboxylate Openeye Name: ethyl 4-butoxy-3-methylsulfanyl-2-benzothiophene-1-carboxylate CAS Name: 4-butoxy-3-(methylthio)-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-butoxy-3-methylsulfanyl-2-benzothiophene-1-carboxylate Traditional Name: 4-butoxy-3-(methylthio)isobenzothiophene-1-carboxylic acid ethyl ester Formula: C16H20O3S2 MolecularWeight: 324.4582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC2=C(SC(=C21)SC)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC2=C(SC(=C21)SC)C(=O)OCC

InChI

InChI=1S/C16H20O3S2/c1-4-6-10-19-12-9-7-8-11-13(12)16(20-3)21-14(11)15(17)18-5-2/h7-9H,4-6,10H2,1-3H3