ditert-butyl (2S)-2-[(4-methylphenyl)sulfanylcarbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[(4-methylphenyl)sulfanylcarbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-(p-tolylsulfanylcarbonylamino)pentanedioate CAS Name: (2S)-2-[[[(4-methylphenyl)thio]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[(4-methylphenyl)sulfanylcarbonylamino]pentanedioate Traditional Name: (2S)-2-[(p-tolylthio)carbonylamino]glutaric acid ditert-butyl ester Formula: C21H31NO5S MolecularWeight: 409.53954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO5S/c1-14-8-10-15(11-9-14)28-19(25)22-16(18(24)27-21(5,6)7)12-13-17(23)26-20(2,3)4/h8-11,16H,12-13H2,1-7H3,(H,22,25)/t16-/m0/s1