5-bromanyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: 5-bromanyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: 2-[(2-benzylsulfanylacetyl)amino]-5-bromo-benzoate CAS Name: 5-bromo-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoate IUPAC Name: 2-[(2-benzylsulfanylacetyl)amino]-5-bromobenzoate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-5-bromo-benzoate Formula: C16H13BrNO3S- MolecularWeight: 379.24832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC2=C(C=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=C(C=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C16H14BrNO3S/c17-12-6-7-14(13(8-12)16(20)21)18-15(19)10-22-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)(H,20,21)/p-1