[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone

Systemtic Name: [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone Openeye Name: [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]-[2-methoxy-4-(methylthio)phenyl]methanone IUPAC Name: [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone Traditional Name: [2-[(3-ethynylphenoxy)methyl]morpholino]-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCOC(C2)COC3=CC=CC(=C3)C#C

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCOC(C2)COC3=CC=CC(=C3)C#C

InChI

InChI=1S/C22H23NO4S/c1-4-16-6-5-7-17(12-16)27-15-18-14-23(10-11-26-18)22(24)20-9-8-19(28-3)13-21(20)25-2/h1,5-9,12-13,18H,10-11,14-15H2,2-3H3