(4-tert-butylphenyl) 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: (4-tert-butylphenyl) 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate Openeye Name: (4-tert-butylphenyl) 3-chloro-5-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-5-methoxy-1-benzothiophene-2-carboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-5-methoxy-benzothiophene-2-carboxylic acid (4-tert-butylphenyl) ester Formula: C20H19ClO3S MolecularWeight: 374.88106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)C=CC(=C3)OC)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)C=CC(=C3)OC)Cl

InChI

InChI=1S/C20H19ClO3S/c1-20(2,3)12-5-7-13(8-6-12)24-19(22)18-17(21)15-11-14(23-4)9-10-16(15)25-18/h5-11H,1-4H3