methyl 2-[2-(3-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(3-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-(3-bromo-2-thienyl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-bromo-2-thiophenyl)-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-bromothiophen-2-yl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(3-bromo-2-thienyl)-2-keto-ethyl]thio]acetic acid methyl ester Formula: C9H9BrO3S2 MolecularWeight: 309.19996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(=O)C1=C(C=CS1)Br

Isomeric SMILES

COC(=O)CSCC(=O)C1=C(C=CS1)Br

InChI

InChI=1S/C9H9BrO3S2/c1-13-8(12)5-14-4-7(11)9-6(10)2-3-15-9/h2-3H,4-5H2,1H3