(4-oxidanylidene-1H-quinazolin-2-yl)methyl (2R)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl (2R)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl (2R)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2R)-2-benzamido-4-(methylthio)butanoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl (2R)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2R)-2-benzamido-4-(methylthio)butyric acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=NC(=O)C2=CC=CC=C2N1)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@H](C(=O)OCC1=NC(=O)C2=CC=CC=C2N1)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-29-12-11-17(23-19(25)14-7-3-2-4-8-14)21(27)28-13-18-22-16-10-6-5-9-15(16)20(26)24-18/h2-10,17H,11-13H2,1H3,(H,23,25)(H,22,24,26)/t17-/m1/s1