[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6S/c1-12(20)17-6-8-18(9-7-17)15(21)10-25-16(22)11-26-14-4-2-13(3-5-14)19(23)24/h2-5H,6-11H2,1H3