5-bromanyl-2-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: 5-bromanyl-2-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: 5-bromo-2-[[2-(o-tolylmethylsulfanyl)acetyl]amino]benzoate CAS Name: 5-bromo-2-[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]benzoate IUPAC Name: 5-bromo-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 5-bromo-2-[[2-[(2-methylbenzyl)thio]acetyl]amino]benzoate Formula: C17H15BrNO3S- MolecularWeight: 393.2749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NC2=C(C=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NC2=C(C=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C17H16BrNO3S/c1-11-4-2-3-5-12(11)9-23-10-16(20)19-15-7-6-13(18)8-14(15)17(21)22/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)/p-1