[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-(2-prop-2-enylsulfanylpyridin-3-yl)methanone

Systemtic Name: [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-(2-prop-2-enylsulfanylpyridin-3-yl)methanone Openeye Name: (2-allylsulfanyl-3-pyridyl)-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone CAS Name: [2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]-[2-(prop-2-enylthio)-3-pyridinyl]methanone IUPAC Name: [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-(2-prop-2-enylsulfanylpyridin-3-yl)methanone Traditional Name: [2-(allylthio)-3-pyridyl]-[2-[(3-ethynylphenoxy)methyl]morpholino]methanone Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-3-13-28-21-20(9-6-10-23-21)22(25)24-11-12-26-19(15-24)16-27-18-8-5-7-17(4-2)14-18/h2-3,5-10,14,19H,1,11-13,15-16H2