(4-nitrophenyl)methyl N-(1-phenyl-2-sulfanyl-ethyl)carbamate

Systemtic Name: (4-nitrophenyl)methyl N-(1-phenyl-2-sulfanyl-ethyl)carbamate Openeye Name: (4-nitrophenyl)methyl N-(1-phenyl-2-sulfanyl-ethyl)carbamate CAS Name: N-(2-mercapto-1-phenylethyl)carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-(1-phenyl-2-sulfanylethyl)carbamate Traditional Name: N-(2-mercapto-1-phenyl-ethyl)carbamic acid (4-nitrobenzyl) ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CS)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CS)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4S/c19-16(17-15(11-23)13-4-2-1-3-5-13)22-10-12-6-8-14(9-7-12)18(20)21/h1-9,15,23H,10-11H2,(H,17,19)