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

Systemtic Name: methyl 3-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[3-[4-[(1S)-1-methylpropyl]phenyl]-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: 3-[[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxo-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: 3-[[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=C2SCCC(=O)OC

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)OC

InChI

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