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

Systemtic Name: methyl 3-(furan-2-ylmethyl)-4-oxidanylidene-2-(3-phenoxypropylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 3-(2-furylmethyl)-4-oxo-2-(3-phenoxypropylsulfanyl)quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-4-oxo-2-(3-phenoxypropylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-4-oxo-2-(3-phenoxypropylsulfanyl)quinazoline-7-carboxylate Traditional Name: 3-(2-furfuryl)-4-keto-2-(3-phenoxypropylthio)quinazoline-7-carboxylic acid methyl ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCCOC3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCCOC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C24H22N2O5S/c1-29-23(28)17-10-11-20-21(15-17)25-24(26(22(20)27)16-19-9-5-12-31-19)32-14-6-13-30-18-7-3-2-4-8-18/h2-5,7-12,15H,6,13-14,16H2,1H3