(2S)-4-methylsulfanyl-2-[(2-phenylquinazolin-4-yl)azaniumyl]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[(2-phenylquinazolin-4-yl)azaniumyl]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[(2-phenylquinazolin-4-yl)ammonio]butanoate CAS Name: (2S)-4-(methylthio)-2-[(2-phenyl-4-quinazolinyl)ammonio]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[(2-phenylquinazolin-4-yl)azaniumyl]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(2-phenylquinazolin-4-yl)ammonio]butyrate Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])[NH2+]C1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])[NH2+]C1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-25-12-11-16(19(23)24)21-18-14-9-5-6-10-15(14)20-17(22-18)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,23,24)(H,20,21,22)/t16-/m0/s1