[4-(2-methylbutan-2-yl)phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (4-tert-amylphenyl) ester Formula: C20H19ClO2S MolecularWeight: 358.88166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H19ClO2S/c1-4-20(2,3)13-9-11-14(12-10-13)23-19(22)18-17(21)15-7-5-6-8-16(15)24-18/h5-12H,4H2,1-3H3