methyl 4-(2-quinolin-2-ylsulfanylethanoylamino)butanoate

Systemtic Name: methyl 4-(2-quinolin-2-ylsulfanylethanoylamino)butanoate Openeye Name: methyl 4-[[2-(2-quinolylsulfanyl)acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-quinolin-2-ylsulfanylacetyl)amino]butanoate Traditional Name: 4-[[2-(2-quinolylthio)acetyl]amino]butyric acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C=C1

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C16H18N2O3S/c1-21-16(20)7-4-10-17-14(19)11-22-15-9-8-12-5-2-3-6-13(12)18-15/h2-3,5-6,8-9H,4,7,10-11H2,1H3,(H,17,19)