methyl (2S)-4-methylsulfanyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]butanoate Traditional Name: (2S)-2-[3-(4-ketoquinazolin-3-yl)propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CCN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CCN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C17H21N3O4S/c1-24-17(23)14(8-10-25-2)19-15(21)7-9-20-11-18-13-6-4-3-5-12(13)16(20)22/h3-6,11,14H,7-10H2,1-2H3,(H,19,21)/t14-/m0/s1