[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OC(C)C(=O)NCC3CCCCC3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OC(C)C(=O)NCC3CCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-15-12-20(24-19-11-7-6-10-18(15)19)28-14-21(25)27-16(2)22(26)23-13-17-8-4-3-5-9-17/h6-7,10-12,16-17H,3-5,8-9,13-14H2,1-2H3,(H,23,26)