methyl 2-[[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[(3-ethynylphenoxy)methyl]morpholine-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(3-ethynylphenoxy)methyl]morpholine-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[(3-ethynylphenoxy)methyl]morpholine-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)N1CCOC(C1)COC2=CC=CC(=C2)C#C

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)N1CCOC(C1)COC2=CC=CC(=C2)C#C

InChI

InChI=1S/C20H26N2O5S/c1-4-15-6-5-7-16(12-15)27-14-17-13-22(9-10-26-17)20(24)21-18(8-11-28-3)19(23)25-2/h1,5-7,12,17-18H,8-11,13-14H2,2-3H3,(H,21,24)