methyl 2-[butanoyl-[(4-nitrophenyl)methoxycarbonyloxy]amino]-4-sulfanylidene-butanoate

Systemtic Name: methyl 2-[butanoyl-[(4-nitrophenyl)methoxycarbonyloxy]amino]-4-sulfanylidene-butanoate Openeye Name: methyl 2-[butanoyl-[(4-nitrophenyl)methoxycarbonyloxy]amino]-4-thioxo-butanoate CAS Name: 2-[[(4-nitrophenyl)methoxy-oxomethoxy]-(1-oxobutyl)amino]-4-sulfanylidenebutanoic acid methyl ester IUPAC Name: methyl 2-[butanoyl-[(4-nitrophenyl)methoxycarbonyloxy]amino]-4-sulfanylidenebutanoate Traditional Name: 2-[butyryl-(4-nitrobenzyl)oxycarbonyloxy-amino]-4-thioxo-butyric acid methyl ester Formula: C17H20N2O8S MolecularWeight: 412.4143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O8S/c1-3-4-15(20)18(14(9-10-28)16(21)25-2)27-17(22)26-11-12-5-7-13(8-6-12)19(23)24/h5-8,10,14H,3-4,9,11H2,1-2H3