5-butanoyl-4-methyl-2-methylsulfanyl-thiophene-3-carboxylic acid

Systemtic Name: 5-butanoyl-4-methyl-2-methylsulfanyl-thiophene-3-carboxylic acid Openeye Name: 5-butanoyl-4-methyl-2-methylsulfanyl-thiophene-3-carboxylic acid CAS Name: 4-methyl-2-(methylthio)-5-(1-oxobutyl)-3-thiophenecarboxylic acid IUPAC Name: 5-butanoyl-4-methyl-2-methylsulfanylthiophene-3-carboxylic acid Traditional Name: 5-butyryl-4-methyl-2-(methylthio)-3-thenoic acid Formula: C11H14O3S2 MolecularWeight: 258.35706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C(S1)SC)C(=O)O)C

Isomeric SMILES

CCCC(=O)C1=C(C(=C(S1)SC)C(=O)O)C

InChI

InChI=1S/C11H14O3S2/c1-4-5-7(12)9-6(2)8(10(13)14)11(15-3)16-9/h4-5H2,1-3H3,(H,13,14)