4-chloranyl-2-[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-chloro-2-[[2-(1-naphthylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-chloro-2-[[2-(1-naphthalenylmethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[2-(1-naphthylmethylthio)acetyl]amino]benzoic acid Formula: C20H16ClNO3S MolecularWeight: 385.86394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClNO3S/c21-15-8-9-17(20(24)25)18(10-15)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)