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

Systemtic Name: 3-[(5-ethynylthiophen-2-yl)carbonylamino]-N-[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]azetidine-3-carboxamide Openeye Name: 3-[(5-ethynylthiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]azetidine-3-carboxamide CAS Name: 3-[[(5-ethynyl-2-thiophenyl)-oxomethyl]amino]-N-[3-methyl-4-(3-oxo-4-morpholinyl)phenyl]-3-azetidinecarboxamide IUPAC Name: 3-[(5-ethynylthiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]azetidine-3-carboxamide Traditional Name: 3-[(5-ethynylthiophene-2-carbonyl)amino]-N-[4-(3-ketomorpholino)-3-methyl-phenyl]azetidine-3-carboxamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2(CNC2)NC(=O)C3=CC=C(S3)C#C)N4CCOCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2(CNC2)NC(=O)C3=CC=C(S3)C#C)N4CCOCC4=O

InChI

InChI=1S/C22H22N4O4S/c1-3-16-5-7-18(31-16)20(28)25-22(12-23-13-22)21(29)24-15-4-6-17(14(2)10-15)26-8-9-30-11-19(26)27/h1,4-7,10,23H,8-9,11-13H2,2H3,(H,24,29)(H,25,28)