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

Systemtic Name: methyl (2R)-2-[[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]methylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]methylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]methylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]methylamino]-4-(methylthio)butyric acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-28-16-10-8-15(9-11-16)25-20(14-23-19(12-13-30-3)22(27)29-2)24-18-7-5-4-6-17(18)21(25)26/h4-11,19,23H,12-14H2,1-3H3/t19-/m1/s1