methyl (2S)-2-[3-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[3-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[3-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[3-(4-keto-6,7-dimethoxy-quinazolin-3-yl)propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC(CCSC)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)N[C@@H](CCSC)C(=O)OC)OC

InChI

InChI=1S/C19H25N3O6S/c1-26-15-9-12-14(10-16(15)27-2)20-11-22(18(12)24)7-5-17(23)21-13(6-8-29-4)19(25)28-3/h9-11,13H,5-8H2,1-4H3,(H,21,23)/t13-/m0/s1