2-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-ethyl-quinazolin-4-one

Systemtic Name: 2-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-ethyl-quinazolin-4-one Openeye Name: 2-[(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]sulfanyl-3-ethyl-quinazolin-4-one CAS Name: 2-[[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]thio]-3-ethyl-4-quinazolinone IUPAC Name: 2-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]sulfanyl-3-ethylquinazolin-4-one Traditional Name: 2-[[(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]thio]-3-ethyl-quinazolin-4-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(COC3=CC=C(C=C3)C(=O)C)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](COC3=CC=C(C=C3)C(=O)C)O

InChI

InChI=1S/C21H22N2O4S/c1-3-23-20(26)18-6-4-5-7-19(18)22-21(23)28-13-16(25)12-27-17-10-8-15(9-11-17)14(2)24/h4-11,16,25H,3,12-13H2,1-2H3/t16-/m0/s1