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

Systemtic Name: methyl 2-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]acetic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S/c1-27-18(25)11-21-17(24)13-28-20-22-16-10-6-5-9-15(16)19(26)23(20)12-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,24)