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

Systemtic Name: ditert-butyl (2S)-2-[(3-methoxyphenyl)sulfanylcarbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[(3-methoxyphenyl)sulfanylcarbonylamino]pentanedioate CAS Name: (2S)-2-[[[(3-methoxyphenyl)thio]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[(3-methoxyphenyl)sulfanylcarbonylamino]pentanedioate Traditional Name: (2S)-2-[[(3-methoxyphenyl)thio]carbonylamino]glutaric acid ditert-butyl ester Formula: C21H31NO6S MolecularWeight: 425.53894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)SC1=CC=CC(=C1)OC

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)SC1=CC=CC(=C1)OC

InChI

InChI=1S/C21H31NO6S/c1-20(2,3)27-17(23)12-11-16(18(24)28-21(4,5)6)22-19(25)29-15-10-8-9-14(13-15)26-7/h8-10,13,16H,11-12H2,1-7H3,(H,22,25)/t16-/m0/s1