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

Systemtic Name: methyl 2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(p-tolylmethylsulfanyl)-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 2-[(4-methylphenyl)methylthio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)methylsulfanyl]-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(4-methylbenzyl)thio]-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4CCCO4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4CCCO4

InChI

InChI=1S/C23H24N2O4S/c1-15-5-7-16(8-6-15)14-30-23-24-20-12-17(22(27)28-2)9-10-19(20)21(26)25(23)13-18-4-3-11-29-18/h5-10,12,18H,3-4,11,13-14H2,1-2H3