(2-azanyl-2-oxidanylidene-ethyl) 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetic acid (2-amino-2-keto-ethyl) ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC(=O)N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC(=O)N

InChI

InChI=1S/C17H21N3O4S/c1-11(2)7-8-20-16(23)12-5-3-4-6-13(12)19-17(20)25-10-15(22)24-9-14(18)21/h3-6,11H,7-10H2,1-2H3,(H2,18,21)