(4-nitrophenyl)methyl N-[5-azanyl-6-(2-cyano-1,3-thiazolidin-3-yl)-6-oxidanylidene-hexyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[5-azanyl-6-(2-cyano-1,3-thiazolidin-3-yl)-6-oxidanylidene-hexyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[5-amino-6-(2-cyanothiazolidin-3-yl)-6-oxo-hexyl]carbamate CAS Name: N-[5-amino-6-(2-cyano-3-thiazolidinyl)-6-oxohexyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[5-amino-6-(2-cyano-1,3-thiazolidin-3-yl)-6-oxohexyl]carbamate Traditional Name: N-[5-amino-6-(2-cyanothiazolidin-3-yl)-6-keto-hexyl]carbamic acid (4-nitrobenzyl) ester Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(N1C(=O)C(CCCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1CSC(N1C(=O)C(CCCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C18H23N5O5S/c19-11-16-22(9-10-29-16)17(24)15(20)3-1-2-8-21-18(25)28-12-13-4-6-14(7-5-13)23(26)27/h4-7,15-16H,1-3,8-10,12,20H2,(H,21,25)