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

Systemtic Name: methyl (2R)-2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]methylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]methylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]methylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)methylamino]-4-(methylthio)butyric acid methyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CNC(CCSC)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CN[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C23H27N3O4S/c1-4-30-17-11-9-16(10-12-17)26-21(15-24-20(13-14-31-3)23(28)29-2)25-19-8-6-5-7-18(19)22(26)27/h5-12,20,24H,4,13-15H2,1-3H3/t20-/m1/s1