tert-butyl (4S)-4-azido-5-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylcarbamothioylamino]pentanoate

Systemtic Name: tert-butyl (4S)-4-azido-5-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylcarbamothioylamino]pentanoate Openeye Name: tert-butyl (4S)-4-azido-5-[(2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl)sulfonylcarbamothioylamino]pentanoate CAS Name: (4S)-4-azido-5-[[[(2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl)sulfonylamino]-sulfanylidenemethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-azido-5-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylcarbamothioylamino]pentanoate Traditional Name: (4S)-4-azido-5-[(2,2,4,6,7-pentamethylcoumaran-5-yl)sulfonylthiocarbamoylamino]valeric acid tert-butyl ester Formula: C23H35N5O5S2 MolecularWeight: 525.6845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)S(=O)(=O)NC(=S)NCC(CCC(=O)OC(C)(C)C)N=[N+]=[N-])C)CC(O2)(C)C

Isomeric SMILES

CC1=C2C(=C(C(=C1C)S(=O)(=O)NC(=S)NC[C@H](CCC(=O)OC(C)(C)C)N=[N+]=[N-])C)CC(O2)(C)C

InChI

InChI=1S/C23H35N5O5S2/c1-13-14(2)20(15(3)17-11-23(7,8)33-19(13)17)35(30,31)27-21(34)25-12-16(26-28-24)9-10-18(29)32-22(4,5)6/h16H,9-12H2,1-8H3,(H2,25,27,34)/t16-/m0/s1