2-[[4-[(4-oxidanylidene-1H-quinazolin-6-yl)methylsulfanyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(4-oxidanylidene-1H-quinazolin-6-yl)methylsulfanyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(4-oxo-1H-quinazolin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[4-[(4-oxo-1H-quinazolin-6-yl)methylthio]phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(4-oxo-1H-quinazolin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(4-keto-1H-quinazolin-6-yl)methylthio]benzoyl]amino]glutaric acid Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)SCC2=CC3=C(C=C2)NC=NC3=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)SCC2=CC3=C(C=C2)NC=NC3=O

InChI

InChI=1S/C21H19N3O6S/c25-18(26)8-7-17(21(29)30)24-19(27)13-2-4-14(5-3-13)31-10-12-1-6-16-15(9-12)20(28)23-11-22-16/h1-6,9,11,17H,7-8,10H2,(H,24,27)(H,25,26)(H,29,30)(H,22,23,28)