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

Systemtic Name: methyl 3-(furan-2-ylmethyl)-4-oxidanylidene-2-prop-2-enylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-allylsulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-4-oxo-2-(prop-2-enylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-4-oxo-2-prop-2-enylsulfanylquinazoline-7-carboxylate Traditional Name: 2-(allylthio)-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC=C)CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC=C)CC3=CC=CO3

InChI

InChI=1S/C18H16N2O4S/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/h3-8,10H,1,9,11H2,2H3