[4-bromanyl-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] thiophene-2-carboxylate

Systemtic Name: [4-bromanyl-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] thiophene-2-carboxylate Openeye Name: [4-bromo-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-bromo-2-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-bromo-2-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]phenyl] ester Formula: C22H17BrO5S MolecularWeight: 473.33638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CS3)OC

InChI

InChI=1S/C22H17BrO5S/c1-26-19-9-6-14(12-20(19)27-2)5-8-17(24)16-13-15(23)7-10-18(16)28-22(25)21-4-3-11-29-21/h3-13H,1-2H3/b8-5+