[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-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=C(C=C(C=C1)CCC(=O)OCC(=O)C2=CC=C(S2)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrO5S/c1-21-13-5-3-11(9-14(13)22-2)4-8-17(20)23-10-12(19)15-6-7-16(18)24-15/h3,5-7,9H,4,8,10H2,1-2H3