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

Systemtic Name: 2-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 2-[(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]sulfanyl-3-allyl-quinazolin-4-one CAS Name: 2-[[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 2-[[(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]thio]-3-allyl-quinazolin-4-one Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-3-12-24-21(27)19-6-4-5-7-20(19)23-22(24)29-14-17(26)13-28-18-10-8-16(9-11-18)15(2)25/h3-11,17,26H,1,12-14H2,2H3/t17-/m0/s1