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

Systemtic Name: ethyl 2-[2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[[3-(cyclopentylmethyl)-2-quinolyl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[3-(cyclopentylmethyl)-2-quinolinyl]thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[3-(cyclopentylmethyl)-2-quinolyl]thio]acetyl]amino]acetic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C=C1CC3CCCC3

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C=C1CC3CCCC3

InChI

InChI=1S/C21H26N2O3S/c1-2-26-20(25)13-22-19(24)14-27-21-17(11-15-7-3-4-8-15)12-16-9-5-6-10-18(16)23-21/h5-6,9-10,12,15H,2-4,7-8,11,13-14H2,1H3,(H,22,24)