methyl 3-(3-methoxypropyl)-4-oxidanylidene-2-(1-phenylethylsulfanyl)quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3-methoxypropyl)-4-oxidanylidene-2-(1-phenylethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 3-(3-methoxypropyl)-4-oxo-2-(1-phenylethylsulfanyl)quinazoline-7-carboxylate CAS Name: 3-(3-methoxypropyl)-4-oxo-2-(1-phenylethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-methoxypropyl)-4-oxo-2-(1-phenylethylsulfanyl)quinazoline-7-carboxylate Traditional Name: 4-keto-3-(3-methoxypropyl)-2-(1-phenylethylthio)quinazoline-7-carboxylic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCCOC

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCCOC

InChI

InChI=1S/C22H24N2O4S/c1-15(16-8-5-4-6-9-16)29-22-23-19-14-17(21(26)28-3)10-11-18(19)20(25)24(22)12-7-13-27-2/h4-6,8-11,14-15H,7,12-13H2,1-3H3