[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-bromanylthiophene-2-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C15H13BrO3S3 MolecularWeight: 417.36092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C15H13BrO3S3/c1-18-11-8-9(15-20-6-7-21-15)2-3-10(11)19-14(17)12-4-5-13(16)22-12/h2-5,8,15H,6-7H2,1H3