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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H17BrO5S MolecularWeight: 413.28288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)C2=CC=C(S2)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)C2=CC=C(S2)Br)OC

InChI

InChI=1S/C17H17BrO5S/c1-21-12-7-11(8-13(9-12)22-2)3-6-17(20)23-10-14(19)15-4-5-16(18)24-15/h4-5,7-9H,3,6,10H2,1-2H3