ethyl (2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl (2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2R)-2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-2-phenyl-acetate CAS Name: (2R)-2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetate Traditional Name: (2R)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H24N2O3S/c1-4-15(3)24-20(25)17-13-9-10-14-18(17)23-22(24)28-19(21(26)27-5-2)16-11-7-6-8-12-16/h6-15,19H,4-5H2,1-3H3/t15-,19+/m0/s1