ethyl 2-(5-bromanyl-2-oxidanyl-phenyl)-2,3-dihydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(5-bromanyl-2-oxidanyl-phenyl)-2,3-dihydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(5-bromo-2-hydroxy-phenyl)-2,3-dihydrobenzothiophene-3-carboxylate CAS Name: 2-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(5-bromo-2-hydroxy-phenyl)-2,3-dihydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H15BrO3S MolecularWeight: 379.2682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC2=CC=CC=C12)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CCOC(=O)C1C(SC2=CC=CC=C12)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C17H15BrO3S/c1-2-21-17(20)15-11-5-3-4-6-14(11)22-16(15)12-9-10(18)7-8-13(12)19/h3-9,15-16,19H,2H2,1H3