[4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]phenyl] ester Formula: C21H15BrO4S MolecularWeight: 443.3104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrO4S/c1-25-19-11-7-16(22)13-15(19)6-10-18(23)14-4-8-17(9-5-14)26-21(24)20-3-2-12-27-20/h2-13H,1H3/b10-6+