2-(4-bromanylphenoxy)ethyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: 2-(4-bromophenoxy)ethyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid 2-(4-bromophenoxy)ethyl ester Formula: C17H12BrClO3S MolecularWeight: 411.69738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCCOC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCCOC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C17H12BrClO3S/c18-11-5-7-12(8-6-11)21-9-10-22-17(20)16-15(19)13-3-1-2-4-14(13)23-16/h1-8H,9-10H2