2-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]acetate CAS Name: 2-[[(2S)-4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]acetate IUPAC Name: 2-[[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]acetate Formula: C15H16N3O4S- MolecularWeight: 334.37024

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)[O-])N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CSCC[C@@H](C(=O)NCC(=O)[O-])N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C15H17N3O4S/c1-23-7-6-12(14(21)16-8-13(19)20)18-9-17-11-5-3-2-4-10(11)15(18)22/h2-5,9,12H,6-8H2,1H3,(H,16,21)(H,19,20)/p-1/t12-/m0/s1