(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[(2R)-2-oxolanyl]methylthio]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1SCC2CCCO2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1SC[C@H]2CCCO2

InChI

InChI=1S/C18H20N2O4S/c1-12(20)15(9-19)16(21)10-24-18(22)14-6-2-3-7-17(14)25-11-13-5-4-8-23-13/h2-3,6-7,13,15,20H,4-5,8,10-11H2,1H3/t13-,15?/m1/s1