(2-oxidanylidene-2-thiophen-2-yl-ethyl) (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid [2-keto-2-(2-thienyl)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=CS2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)OCC(=O)C2=CC=CS2)Br)O

InChI

InChI=1S/C16H13BrO5S/c1-21-13-8-10(7-11(17)16(13)20)4-5-15(19)22-9-12(18)14-3-2-6-23-14/h2-8,20H,9H2,1H3/b5-4+