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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H15BrO5S MolecularWeight: 399.2563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrO5S/c1-20-12-4-3-10(7-13(12)21-2)8-16(19)22-9-11(18)14-5-6-15(17)23-14/h3-7H,8-9H2,1-2H3