methyl 2-[3-(3-methylphenoxy)propylsulfanyl]-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[3-(3-methylphenoxy)propylsulfanyl]-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[3-(3-methylphenoxy)propylsulfanyl]-4-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylate CAS Name: 2-[3-(3-methylphenoxy)propylthio]-4-oxo-3-[[(2R)-2-oxolanyl]methyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3-methylphenoxy)propylsulfanyl]-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Traditional Name: 4-keto-2-[3-(3-methylphenoxy)propylthio]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylic acid methyl ester Formula: C25H28N2O5S MolecularWeight: 468.56522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4CCCO4

Isomeric SMILES

CC1=CC(=CC=C1)OCCCSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C[C@H]4CCCO4

InChI

InChI=1S/C25H28N2O5S/c1-17-6-3-7-19(14-17)31-12-5-13-33-25-26-22-15-18(24(29)30-2)9-10-21(22)23(28)27(25)16-20-8-4-11-32-20/h3,6-7,9-10,14-15,20H,4-5,8,11-13,16H2,1-2H3/t20-/m1/s1