methyl 2-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC(=O)OC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC(=O)OC

InChI

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