[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-5-oxo-pentanoate CAS Name: 5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoate Traditional Name: 5-keto-5-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]valeric acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C16H16N4O6S MolecularWeight: 392.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O6S/c1-10-18-19-16(27-10)17-14(22)3-2-4-15(23)26-9-13(21)11-5-7-12(8-6-11)20(24)25/h5-8H,2-4,9H2,1H3,(H,17,19,22)