(4-tert-butyl-2-methyl-phenyl) 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C20H19ClO2S MolecularWeight: 358.88166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

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