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

Systemtic Name: 2-[(2R)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 2-[(2R)-3-(3-acetylphenoxy)-2-hydroxy-propyl]sulfanyl-3-allyl-quinazolin-4-one CAS Name: 2-[[(2R)-3-(3-acetylphenoxy)-2-hydroxypropyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(2R)-3-(3-acetylphenoxy)-2-hydroxypropyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 2-[[(2R)-3-(3-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(=CC=C1)OCC(CSC2=NC3=CC=CC=C3C(=O)N2CC=C)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-3-11-24-21(27)19-9-4-5-10-20(19)23-22(24)29-14-17(26)13-28-18-8-6-7-16(12-18)15(2)25/h3-10,12,17,26H,1,11,13-14H2,2H3/t17-/m1/s1