tert-butyl 2-[cyclopentyl-(2-ethanoylsulfanyl-3-methyl-phenyl)carbonyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[cyclopentyl-(2-ethanoylsulfanyl-3-methyl-phenyl)carbonyl-amino]ethanoate Openeye Name: tert-butyl 2-[(2-acetylsulfanyl-3-methyl-benzoyl)-cyclopentyl-amino]acetate CAS Name: 2-[[[2-(acetylthio)-3-methylphenyl]-oxomethyl]-cyclopentylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-acetylsulfanyl-3-methylbenzoyl)-cyclopentylamino]acetate Traditional Name: 2-[[2-(acetylthio)-3-methyl-benzoyl]-cyclopentyl-amino]acetic acid tert-butyl ester Formula: C21H29NO4S MolecularWeight: 391.52426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1SC(=O)C)C(=O)N(CC(=O)OC(C)(C)C)C2CCCC2

Isomeric SMILES

CC1=CC=CC(=C1SC(=O)C)C(=O)N(CC(=O)OC(C)(C)C)C2CCCC2

InChI

InChI=1S/C21H29NO4S/c1-14-9-8-12-17(19(14)27-15(2)23)20(25)22(16-10-6-7-11-16)13-18(24)26-21(3,4)5/h8-9,12,16H,6-7,10-11,13H2,1-5H3