[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-prop-2-enylsulfanylpyridin-3-yl)methanone

Systemtic Name: [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-prop-2-enylsulfanylpyridin-3-yl)methanone Openeye Name: (2-allylsulfanyl-3-pyridyl)-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]methanone CAS Name: [2-(1,3-benzodioxol-5-yloxymethyl)-4-morpholinyl]-[2-(prop-2-enylthio)-3-pyridinyl]methanone IUPAC Name: [2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(2-prop-2-enylsulfanylpyridin-3-yl)methanone Traditional Name: [2-(allylthio)-3-pyridyl]-[2-(1,3-benzodioxol-5-yloxymethyl)morpholino]methanone Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C(=O)N2CCOC(C2)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCOC(C2)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O5S/c1-2-10-29-20-17(4-3-7-22-20)21(24)23-8-9-25-16(12-23)13-26-15-5-6-18-19(11-15)28-14-27-18/h2-7,11,16H,1,8-10,12-14H2