2-(2-bromophenyl)sulfanyl-3-(4-methoxyphenyl)propanoic acid

Systemtic Name: 2-(2-bromophenyl)sulfanyl-3-(4-methoxyphenyl)propanoic acid Openeye Name: 2-(2-bromophenyl)sulfanyl-3-(4-methoxyphenyl)propanoic acid CAS Name: 2-[(2-bromophenyl)thio]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 2-(2-bromophenyl)sulfanyl-3-(4-methoxyphenyl)propanoic acid Traditional Name: 2-[(2-bromophenyl)thio]-3-(4-methoxyphenyl)propionic acid Formula: C16H15BrO3S MolecularWeight: 367.2575

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)O)SC2=CC=CC=C2Br

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)O)SC2=CC=CC=C2Br

InChI

InChI=1S/C16H15BrO3S/c1-20-12-8-6-11(7-9-12)10-15(16(18)19)21-14-5-3-2-4-13(14)17/h2-9,15H,10H2,1H3,(H,18,19)