[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H13BrO5S MolecularWeight: 397.24042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrO5S/c1-21-13-8-10(2-4-11(13)18)3-7-16(20)22-9-12(19)14-5-6-15(17)23-14/h2-8,18H,9H2,1H3