2-[(3-chloranyl-5-ethanoyl-2-ethanoylsulfanyl-phenyl)carbonyl-cyclobutyl-amino]ethanoic acid

Systemtic Name: 2-[(3-chloranyl-5-ethanoyl-2-ethanoylsulfanyl-phenyl)carbonyl-cyclobutyl-amino]ethanoic acid Openeye Name: 2-[(5-acetyl-2-acetylsulfanyl-3-chloro-benzoyl)-cyclobutyl-amino]acetic acid CAS Name: 2-[[[5-acetyl-2-(acetylthio)-3-chlorophenyl]-oxomethyl]-cyclobutylamino]acetic acid IUPAC Name: 2-[(5-acetyl-2-acetylsulfanyl-3-chlorobenzoyl)-cyclobutylamino]acetic acid Traditional Name: 2-[[5-acetyl-2-(acetylthio)-3-chloro-benzoyl]-cyclobutyl-amino]acetic acid Formula: C17H18ClNO5S MolecularWeight: 383.84652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C(=C1)Cl)SC(=O)C)C(=O)N(CC(=O)O)C2CCC2

Isomeric SMILES

CC(=O)C1=CC(=C(C(=C1)Cl)SC(=O)C)C(=O)N(CC(=O)O)C2CCC2

InChI

InChI=1S/C17H18ClNO5S/c1-9(20)11-6-13(16(14(18)7-11)25-10(2)21)17(24)19(8-15(22)23)12-4-3-5-12/h6-7,12H,3-5,8H2,1-2H3,(H,22,23)