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

Systemtic Name: (4-bromanyl-2-propan-2-yl-phenyl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (4-bromo-2-isopropyl-phenyl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (4-bromo-2-propan-2-ylphenyl) ester IUPAC Name: (4-bromo-2-propan-2-ylphenyl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (4-bromo-2-isopropyl-phenyl) ester Formula: C18H14BrClO2S MolecularWeight: 409.72456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H14BrClO2S/c1-10(2)13-9-11(19)7-8-14(13)22-18(21)17-16(20)12-5-3-4-6-15(12)23-17/h3-10H,1-2H3