4-(2-ethanethioylphenyl)-3-methyl-butanoate

Systemtic Name: 4-(2-ethanethioylphenyl)-3-methyl-butanoate Openeye Name: 4-(2-ethanethioylphenyl)-3-methyl-butanoate CAS Name: 3-methyl-4-[2-(1-sulfanylideneethyl)phenyl]butanoate IUPAC Name: 4-(2-ethanethioylphenyl)-3-methylbutanoate Traditional Name: 3-methyl-4-(2-thioacetylphenyl)butyrate Formula: C13H15O2S- MolecularWeight: 235.322

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1C(=S)C)CC(=O)[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1C(=S)C)CC(=O)[O-]

InChI

InChI=1S/C13H16O2S/c1-9(8-13(14)15)7-11-5-3-4-6-12(11)10(2)16/h3-6,9H,7-8H2,1-2H3,(H,14,15)/p-1