1-[[4-[(4-bromanyl-3-methyl-phenyl)sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[4-[(4-bromanyl-3-methyl-phenyl)sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-[(4-bromo-3-methyl-phenyl)sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-[[(4-bromo-3-methylphenyl)thio]methyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-[(4-bromo-3-methylphenyl)sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-[[(4-bromo-3-methyl-phenyl)thio]methyl]benzyl]azetidine-3-carboxylic acid Formula: C19H20BrNO2S MolecularWeight: 406.3366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)CN3CC(C3)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)CN3CC(C3)C(=O)O)Br

InChI

InChI=1S/C19H20BrNO2S/c1-13-8-17(6-7-18(13)20)24-12-15-4-2-14(3-5-15)9-21-10-16(11-21)19(22)23/h2-8,16H,9-12H2,1H3,(H,22,23)