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

Systemtic Name: methyl 4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]-2-(2-phenoxyethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-(2-phenoxyethylsulfanyl)quinazoline-7-carboxylate CAS Name: 3-[(2R)-2-hydroxypropyl]-4-oxo-2-(2-phenoxyethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-(2-phenoxyethylsulfanyl)quinazoline-7-carboxylate Traditional Name: 3-[(2R)-2-hydroxypropyl]-4-keto-2-(2-phenoxyethylthio)quinazoline-7-carboxylic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCOC3=CC=CC=C3)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCOC3=CC=CC=C3)O

InChI

InChI=1S/C21H22N2O5S/c1-14(24)13-23-19(25)17-9-8-15(20(26)27-2)12-18(17)22-21(23)29-11-10-28-16-6-4-3-5-7-16/h3-9,12,14,24H,10-11,13H2,1-2H3/t14-/m1/s1