2-[5-(3-bromanyl-6-propan-2-yloxy-1-benzothiophen-2-yl)-2-methyl-phenyl]-1,3-dioxolane

Systemtic Name: 2-[5-(3-bromanyl-6-propan-2-yloxy-1-benzothiophen-2-yl)-2-methyl-phenyl]-1,3-dioxolane Openeye Name: 2-[5-(3-bromo-6-isopropoxy-benzothiophen-2-yl)-2-methyl-phenyl]-1,3-dioxolane CAS Name: 2-[5-(3-bromo-6-propan-2-yloxy-1-benzothiophen-2-yl)-2-methylphenyl]-1,3-dioxolane IUPAC Name: 2-[5-(3-bromo-6-propan-2-yloxy-1-benzothiophen-2-yl)-2-methylphenyl]-1,3-dioxolane Traditional Name: 2-[5-(3-bromo-6-isopropoxy-benzothiophen-2-yl)-2-methyl-phenyl]-1,3-dioxolane Formula: C21H21BrO3S MolecularWeight: 433.35864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC(C)C)Br)C4OCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC(C)C)Br)C4OCCO4

InChI

InChI=1S/C21H21BrO3S/c1-12(2)25-15-6-7-16-18(11-15)26-20(19(16)22)14-5-4-13(3)17(10-14)21-23-8-9-24-21/h4-7,10-12,21H,8-9H2,1-3H3