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

Systemtic Name: methyl 2-[2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCCO3

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCCO3

InChI

InChI=1S/C18H21N3O5S/c1-25-16(23)9-19-15(22)11-27-18-20-14-7-3-2-6-13(14)17(24)21(18)10-12-5-4-8-26-12/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,19,22)