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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C14H11BrO3S MolecularWeight: 339.20434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrO3S/c1-9-3-2-4-10(7-9)14(17)18-8-11(16)12-5-6-13(15)19-12/h2-7H,8H2,1H3