3-[(5-ethynylthiophen-2-yl)carbonylamino]-N-[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]oxetane-3-carboxamide

Systemtic Name: 3-[(5-ethynylthiophen-2-yl)carbonylamino]-N-[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]oxetane-3-carboxamide Openeye Name: 3-[(5-ethynylthiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]oxetane-3-carboxamide CAS Name: 3-[[(5-ethynyl-2-thiophenyl)-oxomethyl]amino]-N-[3-methyl-4-(3-oxo-4-morpholinyl)phenyl]-3-oxetanecarboxamide IUPAC Name: 3-[(5-ethynylthiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]oxetane-3-carboxamide Traditional Name: 3-[(5-ethynylthiophene-2-carbonyl)amino]-N-[4-(3-ketomorpholino)-3-methyl-phenyl]oxetane-3-carboxamide Formula: C22H21N3O5S MolecularWeight: 439.48424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2(COC2)NC(=O)C3=CC=C(S3)C#C)N4CCOCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2(COC2)NC(=O)C3=CC=C(S3)C#C)N4CCOCC4=O

InChI

InChI=1S/C22H21N3O5S/c1-3-16-5-7-18(31-16)20(27)24-22(12-30-13-22)21(28)23-15-4-6-17(14(2)10-15)25-8-9-29-11-19(25)26/h1,4-7,10H,8-9,11-13H2,2H3,(H,23,28)(H,24,27)