methyl 4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-prop-2-enylsulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-prop-2-enylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-allylsulfanyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 4-oxo-3-(2-oxolanylmethyl)-2-(prop-2-enylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-(oxolan-2-ylmethyl)-2-prop-2-enylsulfanylquinazoline-7-carboxylate Traditional Name: 2-(allylthio)-4-keto-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC=C)CC3CCCO3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC=C)CC3CCCO3

InChI

InChI=1S/C18H20N2O4S/c1-3-9-25-18-19-15-10-12(17(22)23-2)6-7-14(15)16(21)20(18)11-13-5-4-8-24-13/h3,6-7,10,13H,1,4-5,8-9,11H2,2H3