tert-butyl 2-[(4-bromophenyl)sulfanylmethyl]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[(4-bromophenyl)sulfanylmethyl]-3-phenyl-propanoate Openeye Name: tert-butyl 2-benzyl-3-(4-bromophenyl)sulfanyl-propanoate CAS Name: 2-[[(4-bromophenyl)thio]methyl]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzyl-3-(4-bromophenyl)sulfanylpropanoate Traditional Name: 2-benzyl-3-[(4-bromophenyl)thio]propionic acid tert-butyl ester Formula: C20H23BrO2S MolecularWeight: 407.36442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H23BrO2S/c1-20(2,3)23-19(22)16(13-15-7-5-4-6-8-15)14-24-18-11-9-17(21)10-12-18/h4-12,16H,13-14H2,1-3H3