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

Systemtic Name: methyl 4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-(2-phenoxyethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(2-phenoxyethylsulfanyl)-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 4-oxo-3-(2-oxolanylmethyl)-2-(2-phenoxyethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-(oxolan-2-ylmethyl)-2-(2-phenoxyethylsulfanyl)quinazoline-7-carboxylate Traditional Name: 4-keto-2-(2-phenoxyethylthio)-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCOC3=CC=CC=C3)CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCOC3=CC=CC=C3)CC4CCCO4

InChI

InChI=1S/C23H24N2O5S/c1-28-22(27)16-9-10-19-20(14-16)24-23(25(21(19)26)15-18-8-5-11-29-18)31-13-12-30-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,18H,5,8,11-13,15H2,1H3