methyl 2-(3-bromanylthiophen-2-yl)sulfanyl-5-methoxy-2-methyl-pentanoate

Systemtic Name: methyl 2-(3-bromanylthiophen-2-yl)sulfanyl-5-methoxy-2-methyl-pentanoate Openeye Name: methyl 2-[(3-bromo-2-thienyl)sulfanyl]-5-methoxy-2-methyl-pentanoate CAS Name: 2-[(3-bromo-2-thiophenyl)thio]-5-methoxy-2-methylpentanoic acid methyl ester IUPAC Name: methyl 2-(3-bromothiophen-2-yl)sulfanyl-5-methoxy-2-methylpentanoate Traditional Name: 2-[(3-bromo-2-thienyl)thio]-5-methoxy-2-methyl-valeric acid methyl ester Formula: C12H17BrO3S2 MolecularWeight: 353.29558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrO3S2/c1-12(11(14)16-3,6-4-7-15-2)18-10-9(13)5-8-17-10/h5,8H,4,6-7H2,1-3H3