[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C18H17N3O3S/c1-11-7-17(21-15-6-4-3-5-13(11)15)25-10-18(23)24-9-16(22)14(8-19)12(2)20/h3-7,14,20H,9-10H2,1-2H3/t14-/m1/s1