methyl 3-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanylpropanoate

Systemtic Name: methyl 3-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanylpropanoate Openeye Name: methyl 3-[4-oxo-4-(2-thienyl)butyl]sulfanylpropanoate CAS Name: 3-[(4-oxo-4-thiophen-2-ylbutyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(4-oxo-4-thiophen-2-ylbutyl)sulfanylpropanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butyl]thio]propionic acid methyl ester Formula: C12H16O3S2 MolecularWeight: 272.38364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCCCC(=O)C1=CC=CS1

Isomeric SMILES

COC(=O)CCSCCCC(=O)C1=CC=CS1

InChI

InChI=1S/C12H16O3S2/c1-15-12(14)6-9-16-7-2-4-10(13)11-5-3-8-17-11/h3,5,8H,2,4,6-7,9H2,1H3