2-[cyclopentyl-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoate

Systemtic Name: 2-[cyclopentyl-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoate Openeye Name: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)-cyclopentyl-amino]acetate CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]-cyclopentylamino]acetate IUPAC Name: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)-cyclopentylamino]acetate Traditional Name: 2-[[3-(benzoylthio)-2-methyl-propanoyl]-cyclopentyl-amino]acetate Formula: C18H22NO4S- MolecularWeight: 348.43658

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N(CC(=O)[O-])C2CCCC2

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N(CC(=O)[O-])C2CCCC2

InChI

InChI=1S/C18H23NO4S/c1-13(12-24-18(23)14-7-3-2-4-8-14)17(22)19(11-16(20)21)15-9-5-6-10-15/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,20,21)/p-1