ethyl 2-[2-[3-(phenylmethyl)quinolin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[3-(phenylmethyl)quinolin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[(3-benzyl-2-quinolyl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[3-(phenylmethyl)-2-quinolinyl]thio]ethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-benzylquinolin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(3-benzyl-2-quinolyl)thio]acetyl]amino]acetic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C=C1CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C=C1CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-2-27-21(26)14-23-20(25)15-28-22-18(12-16-8-4-3-5-9-16)13-17-10-6-7-11-19(17)24-22/h3-11,13H,2,12,14-15H2,1H3,(H,23,25)