methyl (2R)-2-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N[C@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C19H25N3O4S/c1-5-22-17(24)13-8-6-7-9-14(13)21-19(22)27-11-16(23)20-15(10-12(2)3)18(25)26-4/h6-9,12,15H,5,10-11H2,1-4H3,(H,20,23)/t15-/m1/s1