3-ethyl-2-[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-ethyl-2-[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]sulfanyl-quinazolin-4-one Openeye Name: 3-ethyl-2-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-quinazolin-4-one CAS Name: 3-ethyl-2-[[(2R)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]thio]-4-quinazolinone IUPAC Name: 3-ethyl-2-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanylquinazolin-4-one Traditional Name: 3-ethyl-2-[[(2R)-2-hydroxy-3-(4-propionylphenoxy)propyl]thio]quinazolin-4-one Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3C(=O)N2CC)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@H](CSC2=NC3=CC=CC=C3C(=O)N2CC)O

InChI

InChI=1S/C22H24N2O4S/c1-3-20(26)15-9-11-17(12-10-15)28-13-16(25)14-29-22-23-19-8-6-5-7-18(19)21(27)24(22)4-2/h5-12,16,25H,3-4,13-14H2,1-2H3/t16-/m1/s1