ethyl 4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 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]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S/c1-3-24-16(21)18-8-6-17(7-9-18)15(20)11(2)12-4-5-14(25)13(10-12)19(22)23/h4-5,10,25H,2-3,6-9H2,1H3