tert-butyl 2-[cyclopentyl-(2-ethanoylphenyl)carbothioyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[cyclopentyl-(2-ethanoylphenyl)carbothioyl-amino]ethanoate Openeye Name: tert-butyl 2-[(2-acetylbenzenecarbothioyl)-cyclopentyl-amino]acetate CAS Name: 2-[[(2-acetylphenyl)-sulfanylidenemethyl]-cyclopentylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-acetylbenzenecarbothioyl)-cyclopentylamino]acetate Traditional Name: 2-[(2-acetylthiobenzoyl)-cyclopentyl-amino]acetic acid tert-butyl ester Formula: C20H27NO3S MolecularWeight: 361.49828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C(=S)N(CC(=O)OC(C)(C)C)C2CCCC2

Isomeric SMILES

CC(=O)C1=CC=CC=C1C(=S)N(CC(=O)OC(C)(C)C)C2CCCC2

InChI

InChI=1S/C20H27NO3S/c1-14(22)16-11-7-8-12-17(16)19(25)21(15-9-5-6-10-15)13-18(23)24-20(2,3)4/h7-8,11-12,15H,5-6,9-10,13H2,1-4H3