[5-methoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [5-methoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2-bromanylbenzoate Openeye Name: [5-methoxy-2-[(E)-3-(2-thienyl)prop-2-enoyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [5-methoxy-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]phenyl] ester IUPAC Name: [5-methoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [5-methoxy-2-[(E)-3-(2-thienyl)acryloyl]phenyl] ester Formula: C21H15BrO4S MolecularWeight: 443.3104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C=CC2=CC=CS2)OC(=O)C3=CC=CC=C3Br

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CS2)OC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H15BrO4S/c1-25-14-8-10-17(19(23)11-9-15-5-4-12-27-15)20(13-14)26-21(24)16-6-2-3-7-18(16)22/h2-13H,1H3/b11-9+