ethyl 5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate Openeye Name: ethyl 5-[2-(4-bromophenyl)-2-oxo-ethyl]-4-hydroxy-2-methyl-thiophene-3-carboxylate CAS Name: 5-[2-(4-bromophenyl)-2-oxoethyl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-bromophenyl)-2-oxoethyl]-4-hydroxy-2-methylthiophene-3-carboxylate Traditional Name: 5-[2-(4-bromophenyl)-2-keto-ethyl]-4-hydroxy-2-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H15BrO4S MolecularWeight: 383.2569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1O)CC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1O)CC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C16H15BrO4S/c1-3-21-16(20)14-9(2)22-13(15(14)19)8-12(18)10-4-6-11(17)7-5-10/h4-7,19H,3,8H2,1-2H3