5-bromanyl-N-[(2S)-3-methoxy-1-[[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(2S)-3-methoxy-1-[[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[(1S)-1-(methoxymethyl)-2-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[(2S)-3-methoxy-1-[3-methyl-4-(3-oxo-4-morpholinyl)anilino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[(2S)-3-methoxy-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[(1S)-2-keto-2-[4-(3-ketomorpholino)-3-methyl-anilino]-1-(methoxymethyl)ethyl]thiophene-2-carboxamide Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(COC)NC(=O)C2=CC=C(S2)Br)N3CCOCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)[C@H](COC)NC(=O)C2=CC=C(S2)Br)N3CCOCC3=O

InChI

InChI=1S/C20H22BrN3O5S/c1-12-9-13(3-4-15(12)24-7-8-29-11-18(24)25)22-19(26)14(10-28-2)23-20(27)16-5-6-17(21)30-16/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,22,26)(H,23,27)/t14-/m0/s1