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

Systemtic Name: methyl 2-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]acetic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC(=O)OC

InChI

InChI=1S/C17H21N3O4S/c1-3-4-9-20-16(23)12-7-5-6-8-13(12)19-17(20)25-11-14(21)18-10-15(22)24-2/h5-8H,3-4,9-11H2,1-2H3,(H,18,21)