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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)SC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)SC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H19N3O6S/c1-11-22-16-7-6-14(10-15(16)20(28)23-11)31-13-4-2-12(3-5-13)19(27)24-17(21(29)30)8-9-18(25)26/h2-7,10,17H,8-9H2,1H3,(H,24,27)(H,25,26)(H,29,30)(H,22,23,28)/t17-/m0/s1