[5-methoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [5-methoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-bromanylbenzoate Openeye Name: [5-methoxy-2-[(E)-3-(2-thienyl)prop-2-enoyl]phenyl] 4-bromobenzoate CAS Name: 4-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] 4-bromobenzoate Traditional Name: 4-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=C(C=C3)Br

Isomeric SMILES

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

InChI

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