methyl 2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl 2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl 2-[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylpropanoate CAS Name: 2-[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanoate Traditional Name: 2-[[7-chloro-4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]propionic acid methyl ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3CCCO3

Isomeric SMILES

CC(C(=O)OC)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3CCCO3

InChI

InChI=1S/C17H19ClN2O4S/c1-10(16(22)23-2)25-17-19-14-8-11(18)5-6-13(14)15(21)20(17)9-12-4-3-7-24-12/h5-6,8,10,12H,3-4,7,9H2,1-2H3