ditert-butyl (2S)-2-[[4-(1,3-dithian-2-yl)phenoxy]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[[4-(1,3-dithian-2-yl)phenoxy]carbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[[4-(1,3-dithian-2-yl)phenoxy]carbonylamino]pentanedioate CAS Name: (2S)-2-[[[4-(1,3-dithian-2-yl)phenoxy]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[4-(1,3-dithian-2-yl)phenoxy]carbonylamino]pentanedioate Traditional Name: (2S)-2-[[4-(1,3-dithian-2-yl)phenoxy]carbonylamino]glutaric acid ditert-butyl ester Formula: C24H35NO6S2 MolecularWeight: 497.6678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)OC1=CC=C(C=C1)C2SCCCS2

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC1=CC=C(C=C1)C2SCCCS2

InChI

InChI=1S/C24H35NO6S2/c1-23(2,3)30-19(26)13-12-18(20(27)31-24(4,5)6)25-22(28)29-17-10-8-16(9-11-17)21-32-14-7-15-33-21/h8-11,18,21H,7,12-15H2,1-6H3,(H,25,28)/t18-/m0/s1