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

Systemtic Name: 2-(4-ethoxycarbonyl-3-methyl-cyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid Openeye Name: 2-(4-ethoxycarbonyl-3-methyl-cyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid CAS Name: 2-[(4-ethoxycarbonyl-3-methyl-1-cyclohexa-1,3-dienyl)thio]propanoic acid IUPAC Name: 2-(4-ethoxycarbonyl-3-methylcyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid Traditional Name: 2-[(4-carbethoxy-3-methyl-cyclohexa-1,3-dien-1-yl)thio]propionic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(CC1)SC(C)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(CC1)SC(C)C(=O)O)C

InChI

InChI=1S/C13H18O4S/c1-4-17-13(16)11-6-5-10(7-8(11)2)18-9(3)12(14)15/h7,9H,4-6H2,1-3H3,(H,14,15)