methyl 3-[(1-bromanylnaphthalen-2-yl)methyl]-2-methyl-1-benzothiophene-5-carboxylate

Systemtic Name: methyl 3-[(1-bromanylnaphthalen-2-yl)methyl]-2-methyl-1-benzothiophene-5-carboxylate Openeye Name: methyl 3-[(1-bromo-2-naphthyl)methyl]-2-methyl-benzothiophene-5-carboxylate CAS Name: 3-[(1-bromo-2-naphthalenyl)methyl]-2-methyl-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(1-bromonaphthalen-2-yl)methyl]-2-methyl-1-benzothiophene-5-carboxylate Traditional Name: 3-[(1-bromo-2-naphthyl)methyl]-2-methyl-benzothiophene-5-carboxylic acid methyl ester Formula: C22H17BrO2S MolecularWeight: 425.33818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C=CC(=C2)C(=O)OC)CC3=C(C4=CC=CC=C4C=C3)Br

Isomeric SMILES

CC1=C(C2=C(S1)C=CC(=C2)C(=O)OC)CC3=C(C4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C22H17BrO2S/c1-13-18(19-12-16(22(24)25-2)9-10-20(19)26-13)11-15-8-7-14-5-3-4-6-17(14)21(15)23/h3-10,12H,11H2,1-2H3