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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H13BrO4S MolecularWeight: 381.24102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrO4S/c1-20-12-5-2-11(3-6-12)4-9-16(19)21-10-13(18)14-7-8-15(17)22-14/h2-9H,10H2,1H3/b9-4+