methyl 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]-4-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: methyl 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]-4-oxidanylidene-piperidine-3-carboxylate Openeye Name: methyl 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]-4-oxo-piperidine-3-carboxylate CAS Name: 1-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-4-oxo-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]-4-oxopiperidine-3-carboxylate Traditional Name: 4-keto-1-[2-(4-mercapto-3-nitro-phenyl)acryloyl]nipecotic acid methyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCC1=O)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CN(CCC1=O)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c1-9(10-3-4-14(25)12(7-10)18(22)23)15(20)17-6-5-13(19)11(8-17)16(21)24-2/h3-4,7,11,25H,1,5-6,8H2,2H3