[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C17H17BrO3S2 MolecularWeight: 413.34908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C17H17BrO3S2/c1-10-6-13(18)4-5-16(10)22-9-17(20)21-8-15(19)14-7-11(2)23-12(14)3/h4-7H,8-9H2,1-3H3