ethyl 2-[4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-1-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-1-yl]-2-oxo-acetate CAS Name: 2-[4-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazin-1-yl]-2-oxoacetate Traditional Name: 2-keto-2-[4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]piperazino]acetic acid ethyl ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6S/c1-3-26-17(23)16(22)19-8-6-18(7-9-19)15(21)11(2)12-4-5-14(27)13(10-12)20(24)25/h4-5,10,27H,2-3,6-9H2,1H3