[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C17H15BrO5S MolecularWeight: 411.267

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)COC(=O)C=CC2=CC=C(S2)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrO5S/c1-21-11-3-6-13(15(9-11)22-2)14(19)10-23-17(20)8-5-12-4-7-16(18)24-12/h3-9H,10H2,1-2H3/b8-5+