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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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