[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H15BrO4S MolecularWeight: 395.2676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrO4S/c1-11-2-4-12(5-3-11)13(19)6-9-17(21)22-10-14(20)15-7-8-16(18)23-15/h2-5,7-8H,6,9-10H2,1H3