[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C16H18N2O5S/c1-11-3-5-13(6-4-11)24(21,22)8-7-16(20)23-10-15(19)14(9-17)12(2)18/h3-6,14,18H,7-8,10H2,1-2H3/t14-/m1/s1