3-(4-ethoxycarbonyl-3-ethyl-cyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid

Systemtic Name: 3-(4-ethoxycarbonyl-3-ethyl-cyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid Openeye Name: 3-(4-ethoxycarbonyl-3-ethyl-cyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid CAS Name: 3-[(4-ethoxycarbonyl-3-ethyl-1-cyclohexa-1,3-dienyl)thio]propanoic acid IUPAC Name: 3-(4-ethoxycarbonyl-3-ethylcyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid Traditional Name: 3-[(4-carbethoxy-3-ethyl-cyclohexa-1,3-dien-1-yl)thio]propionic acid Formula: C14H20O4S MolecularWeight: 284.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CCC(=C1)SCCC(=O)O)C(=O)OCC

Isomeric SMILES

CCC1=C(CCC(=C1)SCCC(=O)O)C(=O)OCC

InChI

InChI=1S/C14H20O4S/c1-3-10-9-11(19-8-7-13(15)16)5-6-12(10)14(17)18-4-2/h9H,3-8H2,1-2H3,(H,15,16)