methyl 2-[[2-azanyl-3,5-bis(bromanyl)phenyl]-(2-methylphenyl)methyl]sulfanylethanoate

Systemtic Name: methyl 2-[[2-azanyl-3,5-bis(bromanyl)phenyl]-(2-methylphenyl)methyl]sulfanylethanoate Openeye Name: methyl 2-[(2-amino-3,5-dibromo-phenyl)-(o-tolyl)methyl]sulfanylacetate CAS Name: 2-[[(2-amino-3,5-dibromophenyl)-(2-methylphenyl)methyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-amino-3,5-dibromophenyl)-(2-methylphenyl)methyl]sulfanylacetate Traditional Name: 2-[[(2-amino-3,5-dibromo-phenyl)-(o-tolyl)methyl]thio]acetic acid methyl ester Formula: C17H17Br2NO2S MolecularWeight: 459.19538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC(=CC(=C2N)Br)Br)SCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC(=CC(=C2N)Br)Br)SCC(=O)OC

InChI

InChI=1S/C17H17Br2NO2S/c1-10-5-3-4-6-12(10)17(23-9-15(21)22-2)13-7-11(18)8-14(19)16(13)20/h3-8,17H,9,20H2,1-2H3