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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC

InChI

InChI=1S/C19H25N3O4S/c1-5-12(3)16(18(25)26-4)21-15(23)11-27-19-20-14-10-8-7-9-13(14)17(24)22(19)6-2/h7-10,12,16H,5-6,11H2,1-4H3,(H,21,23)