[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C17H15BrO3S MolecularWeight: 379.2682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrO3S/c18-13-7-5-11(6-8-13)14(19)10-21-17(20)16-9-12-3-1-2-4-15(12)22-16/h5-9H,1-4,10H2