[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-nitrophenyl)thio]propanoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-nitrophenyl)thio]propionic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)[C@H](C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S/c1-11(17-20-16-6-4-3-5-15(16)18(23)21-17)27-19(24)12(2)28-14-9-7-13(8-10-14)22(25)26/h3-12H,1-2H3,(H,20,21,23)/t11-,12+/m1/s1