methyl 4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]-2-(3-phenylpropylsulfanyl)quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]-2-(3-phenylpropylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-(3-phenylpropylsulfanyl)quinazoline-7-carboxylate CAS Name: 3-[(2R)-2-hydroxypropyl]-4-oxo-2-(3-phenylpropylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-(3-phenylpropylsulfanyl)quinazoline-7-carboxylate Traditional Name: 3-[(2R)-2-hydroxypropyl]-4-keto-2-(3-phenylpropylthio)quinazoline-7-carboxylic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCCC3=CC=CC=C3)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCCC3=CC=CC=C3)O

InChI

InChI=1S/C22H24N2O4S/c1-15(25)14-24-20(26)18-11-10-17(21(27)28-2)13-19(18)23-22(24)29-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,25H,6,9,12,14H2,1-2H3/t15-/m1/s1