2-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]sulfanyl-3-ethyl-quinazolin-4-one

Systemtic Name: 2-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]sulfanyl-3-ethyl-quinazolin-4-one Openeye Name: 2-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]sulfanyl-3-ethyl-quinazolin-4-one CAS Name: 2-[[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]thio]-3-ethyl-4-quinazolinone IUPAC Name: 2-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]sulfanyl-3-ethylquinazolin-4-one Traditional Name: 3-ethyl-2-[[(2S)-2-hydroxy-3-piperonyloxy-propyl]thio]quinazolin-4-one Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(COCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](COCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H22N2O5S/c1-2-23-20(25)16-5-3-4-6-17(16)22-21(23)29-12-15(24)11-26-10-14-7-8-18-19(9-14)28-13-27-18/h3-9,15,24H,2,10-13H2,1H3/t15-/m0/s1