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

Systemtic Name: (4-butan-2-ylphenyl) 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: (4-sec-butylphenyl) 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid (4-butan-2-ylphenyl) ester IUPAC Name: (4-butan-2-ylphenyl) 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid (4-sec-butylphenyl) ester Formula: C20H19ClO3S MolecularWeight: 374.88106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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