(2-nitrophenyl)methyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: (2-nitrophenyl)methyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (2-nitrophenyl)methyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid (2-nitrobenzyl) ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H20N2O5S/c1-27-12-11-16(20-18(22)14-7-3-2-4-8-14)19(23)26-13-15-9-5-6-10-17(15)21(24)25/h2-10,16H,11-13H2,1H3,(H,20,22)