(2-butan-2-ylphenyl) 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: (2-butan-2-ylphenyl) 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: (2-sec-butylphenyl) 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid (2-sec-butylphenyl) ester Formula: C20H19ClO3S MolecularWeight: 374.88106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

InChI

InChI=1S/C20H19ClO3S/c1-4-12(2)14-7-5-6-8-16(14)24-20(22)19-18(21)15-10-9-13(23-3)11-17(15)25-19/h5-12H,4H2,1-3H3