[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-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 [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(C)C

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(C)C

InChI

InChI=1S/C20H27N3O4S/c1-5-21-18(25)14(4)27-17(24)12-28-20-22-16-9-7-6-8-15(16)19(26)23(20)11-10-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3,(H,21,25)/t14-/m0/s1