ethyl 4-[4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[4-oxo-3-[(1R)-1-phenylethyl]-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[4-keto-3-[(1R)-1-phenylethyl]quinazolin-2-yl]thio]butyric acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1[C@H](C)C3=CC=CC=C3

InChI

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