[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C15H13BrO3S MolecularWeight: 353.23092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)Br)C

InChI

InChI=1S/C15H13BrO3S/c1-9-5-10(2)7-11(6-9)15(18)19-8-12(17)13-3-4-14(16)20-13/h3-7H,8H2,1-2H3