tert-butyl 2-morpholin-4-ylcarbonyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-morpholin-4-ylcarbonyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 2-(morpholine-4-carbonyl)-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-2-[4-morpholinyl(oxo)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(morpholine-4-carbonyl)-4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]-2-(morpholine-4-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C23H30N4O7S MolecularWeight: 506.5719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1C(=O)N2CCOCC2)C(=O)C(=C)C3=CC(=C(C=C3)S)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1C(=O)N2CCOCC2)C(=O)C(=C)C3=CC(=C(C=C3)S)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O7S/c1-15(16-5-6-19(35)17(13-16)27(31)32)20(28)25-7-8-26(22(30)34-23(2,3)4)18(14-25)21(29)24-9-11-33-12-10-24/h5-6,13,18,35H,1,7-12,14H2,2-4H3