ethyl 2-[(4-nitrophenyl)methoxycarbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl 2-[(4-nitrophenyl)methoxycarbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl 2-[(4-nitrophenyl)methoxycarbonylamino]-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-nitrophenyl)methoxycarbonylamino]-3-sulfanylpropanoate Traditional Name: 3-mercapto-2-[(4-nitrobenzyl)oxycarbonylamino]propionic acid ethyl ester Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6S/c1-2-20-12(16)11(8-22)14-13(17)21-7-9-3-5-10(6-4-9)15(18)19/h3-6,11,22H,2,7-8H2,1H3,(H,14,17)