ethyl 3-methoxy-4-propoxysulfanyl-benzoate

Systemtic Name: ethyl 3-methoxy-4-propoxysulfanyl-benzoate Openeye Name: ethyl 3-methoxy-4-propoxysulfanyl-benzoate CAS Name: 3-methoxy-4-(propoxythio)benzoic acid ethyl ester IUPAC Name: ethyl 3-methoxy-4-propoxysulfanylbenzoate Traditional Name: 3-methoxy-4-(propoxythio)benzoic acid ethyl ester Formula: C13H18O4S MolecularWeight: 270.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOSC1=C(C=C(C=C1)C(=O)OCC)OC

Isomeric SMILES

CCCOSC1=C(C=C(C=C1)C(=O)OCC)OC

InChI

InChI=1S/C13H18O4S/c1-4-8-17-18-12-7-6-10(9-11(12)15-3)13(14)16-5-2/h6-7,9H,4-5,8H2,1-3H3