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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NCC#C

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NCC#C

InChI

InChI=1S/C20H23N3O4S/c1-4-10-21-17(24)12-27-18(25)13-28-20-22-16-8-6-5-7-15(16)19(26)23(20)11-9-14(2)3/h1,5-8,14H,9-13H2,2-3H3,(H,21,24)