propyl 3-[4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: propyl 3-[4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylpropanoate Openeye Name: propyl 3-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylpropanoate CAS Name: 3-[[4-oxo-3-[(1R)-1-phenylethyl]-2-quinazolinyl]thio]propanoic acid propyl ester IUPAC Name: propyl 3-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylpropanoate Traditional Name: 3-[[4-keto-3-[(1R)-1-phenylethyl]quinazolin-2-yl]thio]propionic acid propyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCSC1=NC2=CC=CC=C2C(=O)N1C(C)C3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)CCSC1=NC2=CC=CC=C2C(=O)N1[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S/c1-3-14-27-20(25)13-15-28-22-23-19-12-8-7-11-18(19)21(26)24(22)16(2)17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3/t16-/m1/s1