5-butanoyl-4-methyl-2-methylsulfanyl-thiophene-3-carboxylate

Systemtic Name: 5-butanoyl-4-methyl-2-methylsulfanyl-thiophene-3-carboxylate Openeye Name: 5-butanoyl-4-methyl-2-methylsulfanyl-thiophene-3-carboxylate CAS Name: 4-methyl-2-(methylthio)-5-(1-oxobutyl)-3-thiophenecarboxylate IUPAC Name: 5-butanoyl-4-methyl-2-methylsulfanylthiophene-3-carboxylate Traditional Name: 5-butyryl-4-methyl-2-(methylthio)-3-thenoate Formula: C11H13O3S2- MolecularWeight: 257.34912

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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)/p-1