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

Systemtic Name: 3-(4-ethoxycarbonyl-3-methyl-cyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid Openeye Name: 3-(4-ethoxycarbonyl-3-methyl-cyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid CAS Name: 3-[(4-ethoxycarbonyl-3-methyl-1-cyclohexa-1,3-dienyl)thio]propanoic acid IUPAC Name: 3-(4-ethoxycarbonyl-3-methylcyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid Traditional Name: 3-[(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)SCCC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-3-17-13(16)11-5-4-10(8-9(11)2)18-7-6-12(14)15/h8H,3-7H2,1-2H3,(H,14,15)