2-(4-ethoxycarbonyl-3-ethyl-cyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid

Systemtic Name: 2-(4-ethoxycarbonyl-3-ethyl-cyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid Openeye Name: 2-(4-ethoxycarbonyl-3-ethyl-cyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid CAS Name: 2-[(4-ethoxycarbonyl-3-ethyl-1-cyclohexa-1,3-dienyl)thio]propanoic acid IUPAC Name: 2-(4-ethoxycarbonyl-3-ethylcyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid Traditional Name: 2-[(4-carbethoxy-3-ethyl-cyclohexa-1,3-dien-1-yl)thio]propionic acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-4-10-8-11(19-9(3)13(15)16)6-7-12(10)14(17)18-5-2/h8-9H,4-7H2,1-3H3,(H,15,16)