ethyl 4-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(4-methyl-2-quinolyl)thio]acetyl]amino]butyric acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=C1)C

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=C1)C

InChI

InChI=1S/C18H22N2O3S/c1-3-23-18(22)9-6-10-19-16(21)12-24-17-11-13(2)14-7-4-5-8-15(14)20-17/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3,(H,19,21)