[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H23N3O3S/c1-15-11-19(23-17-8-4-3-7-16(15)17)28-13-20(26)27-12-18(25)24-21(14-22)9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10,12-13H2,1H3,(H,24,25)