ethyl N-[4-methyl-1-[2-(4-nitrophenyl)sulfanylpropanoylamino]pentan-2-yl]carbamate

Systemtic Name: ethyl N-[4-methyl-1-[2-(4-nitrophenyl)sulfanylpropanoylamino]pentan-2-yl]carbamate Openeye Name: ethyl N-[3-methyl-1-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]butyl]carbamate CAS Name: N-[4-methyl-1-[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]pentan-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-methyl-1-[2-(4-nitrophenyl)sulfanylpropanoylamino]pentan-2-yl]carbamate Traditional Name: N-[3-methyl-1-[[2-[(4-nitrophenyl)thio]propanoylamino]methyl]butyl]carbamic acid ethyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC(C)C)CNC(=O)C(C)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC(CC(C)C)CNC(=O)C(C)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O5S/c1-5-26-18(23)20-14(10-12(2)3)11-19-17(22)13(4)27-16-8-6-15(7-9-16)21(24)25/h6-9,12-14H,5,10-11H2,1-4H3,(H,19,22)(H,20,23)