ethyl 2-[2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[(3-ethyl-7-methyl-2-quinolyl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[(3-ethyl-7-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(3-ethyl-7-methyl-2-quinolyl)thio]acetyl]amino]acetic acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=C(C=CC2=C1)C)SCC(=O)NCC(=O)OCC

Isomeric SMILES

CCC1=C(N=C2C=C(C=CC2=C1)C)SCC(=O)NCC(=O)OCC

InChI

InChI=1S/C18H22N2O3S/c1-4-13-9-14-7-6-12(3)8-15(14)20-18(13)24-11-16(21)19-10-17(22)23-5-2/h6-9H,4-5,10-11H2,1-3H3,(H,19,21)