(phenylmethyl) 2-azanyl-3-(4-nitrophenyl)sulfanyl-propanoate

Systemtic Name: (phenylmethyl) 2-azanyl-3-(4-nitrophenyl)sulfanyl-propanoate Openeye Name: benzyl 2-amino-3-(4-nitrophenyl)sulfanyl-propanoate CAS Name: 2-amino-3-[(4-nitrophenyl)thio]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-3-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 2-amino-3-[(4-nitrophenyl)thio]propionic acid benzyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CSC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CSC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C16H16N2O4S/c17-15(16(19)22-10-12-4-2-1-3-5-12)11-23-14-8-6-13(7-9-14)18(20)21/h1-9,15H,10-11,17H2