5-bromanyl-2-[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSCC(=O)NC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSCC(=O)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

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