methyl (2R)-2-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)OC

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)OC

InChI

InChI=1S/C22H24N2O3S/c1-5-14(2)16-10-12-17(13-11-16)24-20(25)18-8-6-7-9-19(18)23-22(24)28-15(3)21(26)27-4/h6-15H,5H2,1-4H3/t14-,15+/m0/s1