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

Systemtic Name: (2S)-4-methylsulfanyl-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]-4-(methylthio)butyrate Formula: C15H16N3O4S- MolecularWeight: 334.37024

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)CN1C=NC2=CC=CC=C2C1=O

InChI

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