[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-[5-(p-tolyl)oxazol-2-yl]benzoate CAS Name: 2-[5-(4-methylphenyl)-2-oxazolyl]benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate Traditional Name: 2-[5-(p-tolyl)oxazol-2-yl]benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C23H19N3O4/c1-14-7-9-16(10-8-14)21-12-26-22(30-21)17-5-3-4-6-18(17)23(28)29-13-20(27)19(11-24)15(2)25/h3-10,12,19,25H,13H2,1-2H3/t19-/m1/s1