methyl (2R)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate

Systemtic Name: methyl (2R)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: methyl (2R)-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: (2R)-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: (2R)-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]butyric acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

Isomeric SMILES

CC[C@H](C(=O)OC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C20H20N2O3S/c1-4-17(19(24)25-3)26-20-21-15-11-7-6-10-14(15)18(23)22(20)16-12-8-5-9-13(16)2/h5-12,17H,4H2,1-3H3/t17-/m1/s1