[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-ethylsulfanylbenzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-ethylsulfanylbenzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C15H16N2O3S/c1-3-21-14-7-5-4-6-11(14)15(19)20-9-13(18)12(8-16)10(2)17/h4-7,12,17H,3,9H2,1-2H3/t12-/m0/s1