methyl (2R)-2-[[3-(2,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[3-(2,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[3-(2,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]methylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[3-(2,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]methylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[3-(2,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]methylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[3-(2,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]methylamino]-4-(methylthio)butyric acid methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CNC(CCSC)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CN[C@H](CCSC)C(=O)OC)OC

InChI

InChI=1S/C23H27N3O5S/c1-29-15-9-10-19(20(13-15)30-2)26-21(14-24-18(11-12-32-4)23(28)31-3)25-17-8-6-5-7-16(17)22(26)27/h5-10,13,18,24H,11-12,14H2,1-4H3/t18-/m1/s1