tert-butyl 2-[4-oxidanylidene-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[4-oxidanylidene-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-3-[(1S)-1-phenylethyl]-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-[(1S)-1-phenylethyl]quinazolin-2-yl]thio]acetic acid tert-butyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC(C)(C)C

InChI

InChI=1S/C22H24N2O3S/c1-15(16-10-6-5-7-11-16)24-20(26)17-12-8-9-13-18(17)23-21(24)28-14-19(25)27-22(2,3)4/h5-13,15H,14H2,1-4H3/t15-/m0/s1