2-[cyclopentyl-[4-(dimethylamino)-2-ethanoylsulfanyl-phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[cyclopentyl-[4-(dimethylamino)-2-ethanoylsulfanyl-phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[[2-acetylsulfanyl-4-(dimethylamino)benzoyl]-cyclopentyl-amino]acetic acid CAS Name: 2-[[[2-(acetylthio)-4-(dimethylamino)phenyl]-oxomethyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[[2-acetylsulfanyl-4-(dimethylamino)benzoyl]-cyclopentylamino]acetic acid Traditional Name: 2-[[2-(acetylthio)-4-(dimethylamino)benzoyl]-cyclopentyl-amino]acetic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=C(C=CC(=C1)N(C)C)C(=O)N(CC(=O)O)C2CCCC2

Isomeric SMILES

CC(=O)SC1=C(C=CC(=C1)N(C)C)C(=O)N(CC(=O)O)C2CCCC2

InChI

InChI=1S/C18H24N2O4S/c1-12(21)25-16-10-14(19(2)3)8-9-15(16)18(24)20(11-17(22)23)13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H,22,23)