dimethyl 4-[(3-bromophenyl)sulfanylmethyl]benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[(3-bromophenyl)sulfanylmethyl]benzene-1,2-dicarboxylate Openeye Name: dimethyl 4-[(3-bromophenyl)sulfanylmethyl]benzene-1,2-dicarboxylate CAS Name: 4-[[(3-bromophenyl)thio]methyl]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[(3-bromophenyl)sulfanylmethyl]benzene-1,2-dicarboxylate Traditional Name: 4-[[(3-bromophenyl)thio]methyl]benzene-1,2-dicarboxylic acid dimethyl ester Formula: C17H15BrO4S MolecularWeight: 395.2676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)CSC2=CC(=CC=C2)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)CSC2=CC(=CC=C2)Br)C(=O)OC

InChI

InChI=1S/C17H15BrO4S/c1-21-16(19)14-7-6-11(8-15(14)17(20)22-2)10-23-13-5-3-4-12(18)9-13/h3-9H,10H2,1-2H3