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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H19ClO2S/c1-20(2,3)14-10-8-13(9-11-14)12-23-19(22)18-17(21)15-6-4-5-7-16(15)24-18/h4-11H,12H2,1-3H3