3-(2-acetamidoethylsulfanyl)-5-[(4-nitrophenyl)methoxy]-4,5-bis(oxidanylidene)pentanoic acid

Systemtic Name: 3-(2-acetamidoethylsulfanyl)-5-[(4-nitrophenyl)methoxy]-4,5-bis(oxidanylidene)pentanoic acid Openeye Name: 3-(2-acetamidoethylsulfanyl)-5-[(4-nitrophenyl)methoxy]-4,5-dioxo-pentanoic acid CAS Name: 3-(2-acetamidoethylthio)-5-[(4-nitrophenyl)methoxy]-4,5-dioxopentanoic acid IUPAC Name: 3-(2-acetamidoethylsulfanyl)-5-[(4-nitrophenyl)methoxy]-4,5-dioxopentanoic acid Traditional Name: 3-(2-acetamidoethylthio)-4,5-diketo-5-(4-nitrobenzyl)oxy-valeric acid Formula: C16H18N2O8S MolecularWeight: 398.38772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC(CC(=O)O)C(=O)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCSC(CC(=O)O)C(=O)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O8S/c1-10(19)17-6-7-27-13(8-14(20)21)15(22)16(23)26-9-11-2-4-12(5-3-11)18(24)25/h2-5,13H,6-9H2,1H3,(H,17,19)(H,20,21)