[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl]oxyethanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl]oxyethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-[(5,7-dichloro-2-methyl-8-quinolyl)oxy]acetate CAS Name: 2-[(5,7-dichloro-2-methyl-8-quinolinyl)oxy]acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate Traditional Name: 2-[(5,7-dichloro-2-methyl-8-quinolyl)oxy]acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H15Cl2N3O4 MolecularWeight: 408.2354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)OCC(=O)C(C#N)C(=N)C)Cl)Cl

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)OCC(=O)[C@H](C#N)C(=N)C)Cl)Cl

InChI

InChI=1S/C18H15Cl2N3O4/c1-9-3-4-11-13(19)5-14(20)18(17(11)23-9)27-8-16(25)26-7-15(24)12(6-21)10(2)22/h3-5,12,22H,7-8H2,1-2H3/t12-/m1/s1