ditert-butyl (2S)-2-[(3-methylphenyl)sulfanylcarbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[(3-methylphenyl)sulfanylcarbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-(m-tolylsulfanylcarbonylamino)pentanedioate CAS Name: (2S)-2-[[[(3-methylphenyl)thio]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[(3-methylphenyl)sulfanylcarbonylamino]pentanedioate Traditional Name: (2S)-2-[(m-tolylthio)carbonylamino]glutaric acid ditert-butyl ester Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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