tert-butyl 2-[(3-chloranyl-2-ethanethioyl-phenyl)carbonyl-cyclopentyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[(3-chloranyl-2-ethanethioyl-phenyl)carbonyl-cyclopentyl-amino]ethanoate Openeye Name: tert-butyl 2-[(3-chloro-2-ethanethioyl-benzoyl)-cyclopentyl-amino]acetate CAS Name: 2-[[[3-chloro-2-(1-sulfanylideneethyl)phenyl]-oxomethyl]-cyclopentylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-chloro-2-ethanethioylbenzoyl)-cyclopentylamino]acetate Traditional Name: 2-[(3-chloro-2-thioacetyl-benzoyl)-cyclopentyl-amino]acetic acid tert-butyl ester Formula: C20H26ClNO3S MolecularWeight: 395.94334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C1=C(C=CC=C1Cl)C(=O)N(CC(=O)OC(C)(C)C)C2CCCC2

Isomeric SMILES

CC(=S)C1=C(C=CC=C1Cl)C(=O)N(CC(=O)OC(C)(C)C)C2CCCC2

InChI

InChI=1S/C20H26ClNO3S/c1-13(26)18-15(10-7-11-16(18)21)19(24)22(14-8-5-6-9-14)12-17(23)25-20(2,3)4/h7,10-11,14H,5-6,8-9,12H2,1-4H3