5-bromanyl-2-[2-(naphthalen-2-ylmethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-(naphthalen-2-ylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-(2-naphthylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 5-bromo-2-[[2-(2-naphthalenylmethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(naphthalen-2-ylmethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-(2-naphthylmethylthio)acetyl]amino]benzoic acid Formula: C20H16BrNO3S MolecularWeight: 430.31494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CSCC(=O)NC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CSCC(=O)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H16BrNO3S/c21-16-7-8-18(17(10-16)20(24)25)22-19(23)12-26-11-13-5-6-14-3-1-2-4-15(14)9-13/h1-10H,11-12H2,(H,22,23)(H,24,25)