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

Systemtic Name: methyl 4-(2-quinazolin-4-ylsulfanylethanoylamino)butanoate Openeye Name: methyl 4-[(2-quinazolin-4-ylsulfanylacetyl)amino]butanoate CAS Name: 4-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-quinazolin-4-ylsulfanylacetyl)amino]butanoate Traditional Name: 4-[[2-(quinazolin-4-ylthio)acetyl]amino]butyric acid methyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NC=NC2=CC=CC=C21

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NC=NC2=CC=CC=C21

InChI

InChI=1S/C15H17N3O3S/c1-21-14(20)7-4-8-16-13(19)9-22-15-11-5-2-3-6-12(11)17-10-18-15/h2-3,5-6,10H,4,7-9H2,1H3,(H,16,19)