5-ethynyl-N-[3-[[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]carbamoyl]thietan-3-yl]thiophene-2-carboxamide

Systemtic Name: 5-ethynyl-N-[3-[[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]carbamoyl]thietan-3-yl]thiophene-2-carboxamide Openeye Name: 5-ethynyl-N-[3-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]thietan-3-yl]thiophene-2-carboxamide CAS Name: 5-ethynyl-N-[3-[[3-methyl-4-(3-oxo-4-morpholinyl)anilino]-oxomethyl]-3-thietanyl]-2-thiophenecarboxamide IUPAC Name: 5-ethynyl-N-[3-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]thietan-3-yl]thiophene-2-carboxamide Traditional Name: 5-ethynyl-N-[3-[[4-(3-ketomorpholino)-3-methyl-phenyl]carbamoyl]thietan-3-yl]thiophene-2-carboxamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2(CSC2)NC(=O)C3=CC=C(S3)C#C)N4CCOCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2(CSC2)NC(=O)C3=CC=C(S3)C#C)N4CCOCC4=O

InChI

InChI=1S/C22H21N3O4S2/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)