(4-nitrophenyl)methyl N-(2-methyl-5-sulfanyl-pentan-2-yl)carbamate

Systemtic Name: (4-nitrophenyl)methyl N-(2-methyl-5-sulfanyl-pentan-2-yl)carbamate Openeye Name: (4-nitrophenyl)methyl N-(1,1-dimethyl-4-sulfanyl-butyl)carbamate CAS Name: N-(5-mercapto-2-methylpentan-2-yl)carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-(2-methyl-5-sulfanylpentan-2-yl)carbamate Traditional Name: N-(4-mercapto-1,1-dimethyl-butyl)carbamic acid (4-nitrobenzyl) ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCS)NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CCCS)NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-14(2,8-3-9-21)15-13(17)20-10-11-4-6-12(7-5-11)16(18)19/h4-7,21H,3,8-10H2,1-2H3,(H,15,17)