dimethyl 2-(3-bromanylthiophen-2-yl)sulfanyl-2-methyl-pentanedioate

Systemtic Name: dimethyl 2-(3-bromanylthiophen-2-yl)sulfanyl-2-methyl-pentanedioate Openeye Name: dimethyl 2-[(3-bromo-2-thienyl)sulfanyl]-2-methyl-pentanedioate CAS Name: 2-[(3-bromo-2-thiophenyl)thio]-2-methylpentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-bromothiophen-2-yl)sulfanyl-2-methylpentanedioate Traditional Name: 2-[(3-bromo-2-thienyl)thio]-2-methyl-glutaric acid dimethyl ester Formula: C12H15BrO4S2 MolecularWeight: 367.2791

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)(C(=O)OC)SC1=C(C=CS1)Br

Isomeric SMILES

CC(CCC(=O)OC)(C(=O)OC)SC1=C(C=CS1)Br

InChI

InChI=1S/C12H15BrO4S2/c1-12(11(15)17-3,6-4-9(14)16-2)19-10-8(13)5-7-18-10/h5,7H,4,6H2,1-3H3