[2-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] thiophene-2-carboxylate

Systemtic Name: [2-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] thiophene-2-carboxylate Openeye Name: [2-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]phenyl] ester Formula: C20H13BrO3S MolecularWeight: 413.28442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrO3S/c21-16-10-7-14(8-11-16)17(22)12-9-15-4-1-2-5-18(15)24-20(23)19-6-3-13-25-19/h1-13H/b12-9+