(butanoylamino) 2-[(4-nitrophenyl)methoxycarbonyloxy]-3-sulfanyl-propanoate

Systemtic Name: (butanoylamino) 2-[(4-nitrophenyl)methoxycarbonyloxy]-3-sulfanyl-propanoate Openeye Name: (butanoylamino) 2-[(4-nitrophenyl)methoxycarbonyloxy]-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[(4-nitrophenyl)methoxy-oxomethoxy]propanoic acid (1-oxobutylamino) ester IUPAC Name: (butanoylamino) 2-[(4-nitrophenyl)methoxycarbonyloxy]-3-sulfanylpropanoate Traditional Name: 3-mercapto-2-(4-nitrobenzyl)oxycarbonyloxy-propionic acid butyramido ester Formula: C15H18N2O8S MolecularWeight: 386.37702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NOC(=O)C(CS)OC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NOC(=O)C(CS)OC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O8S/c1-2-3-13(18)16-25-14(19)12(9-26)24-15(20)23-8-10-4-6-11(7-5-10)17(21)22/h4-7,12,26H,2-3,8-9H2,1H3,(H,16,18)