methyl 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[2-(p-tolyl)oxazol-4-yl]methylsulfanyl]-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 2-[[2-(4-methylphenyl)-4-oxazolyl]methylthio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-(p-tolyl)oxazol-4-yl]methylthio]-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CO2)CSC3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CC5CCCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CO2)CSC3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CC5CCCO5

InChI

InChI=1S/C26H25N3O5S/c1-16-5-7-17(8-6-16)23-27-19(14-34-23)15-35-26-28-22-12-18(25(31)32-2)9-10-21(22)24(30)29(26)13-20-4-3-11-33-20/h5-10,12,14,20H,3-4,11,13,15H2,1-2H3