(2R)-1-[(2S)-4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[(2S)-4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[(2S)-4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2S)-2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]pyrrolidine-2-carboxylate Formula: C18H20N3O4S- MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCC1C(=O)[O-])N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H21N3O4S/c1-26-10-8-14(17(23)20-9-4-7-15(20)18(24)25)21-11-19-13-6-3-2-5-12(13)16(21)22/h2-3,5-6,11,14-15H,4,7-10H2,1H3,(H,24,25)/p-1/t14-,15+/m0/s1