2-[2-[(4-chloranyl-2-ethanoyl-5-methylsulfanyl-phenyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(4-chloranyl-2-ethanoyl-5-methylsulfanyl-phenyl)amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(2-acetyl-4-chloro-5-methylsulfanyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-[2-acetyl-4-chloro-5-(methylthio)anilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(2-acetyl-4-chloro-5-methylsulfanylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-[2-acetyl-4-chloro-5-(methylthio)anilino]acetyl]amino]benzoic acid Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1NCC(=O)NC2=CC=CC=C2C(=O)O)SC)Cl

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1NCC(=O)NC2=CC=CC=C2C(=O)O)SC)Cl

InChI

InChI=1S/C18H17ClN2O4S/c1-10(22)12-7-13(19)16(26-2)8-15(12)20-9-17(23)21-14-6-4-3-5-11(14)18(24)25/h3-8,20H,9H2,1-2H3,(H,21,23)(H,24,25)