(4-bromanyl-5-methyl-2-propan-2-yl-phenyl) 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (4-bromanyl-5-methyl-2-propan-2-yl-phenyl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (4-bromo-2-isopropyl-5-methyl-phenyl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (4-bromo-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-bromo-5-methyl-2-propan-2-ylphenyl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (4-bromo-2-isopropyl-5-methyl-phenyl) ester Formula: C19H16BrClO2S MolecularWeight: 423.75114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H16BrClO2S/c1-10(2)13-9-14(20)11(3)8-15(13)23-19(22)18-17(21)12-6-4-5-7-16(12)24-18/h4-10H,1-3H3