5-bromanyl-N-[(3R,4S)-1-[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]-4-oxidanyl-5-oxidanylidene-pyrrolidin-3-yl]thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(3R,4S)-1-[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]-4-oxidanyl-5-oxidanylidene-pyrrolidin-3-yl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[(3R,4S)-4-hydroxy-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxo-pyrrolidin-3-yl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[(3R,4S)-4-hydroxy-1-[3-methyl-4-(3-oxo-4-morpholinyl)phenyl]-5-oxo-3-pyrrolidinyl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[(3R,4S)-4-hydroxy-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[(3R,4S)-4-hydroxy-5-keto-1-[4-(3-ketomorpholino)-3-methyl-phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide Formula: C20H20BrN3O5S MolecularWeight: 494.3589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(C(C2=O)O)NC(=O)C3=CC=C(S3)Br)N4CCOCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)N2C[C@H]([C@@H](C2=O)O)NC(=O)C3=CC=C(S3)Br)N4CCOCC4=O

InChI

InChI=1S/C20H20BrN3O5S/c1-11-8-12(2-3-14(11)23-6-7-29-10-17(23)25)24-9-13(18(26)20(24)28)22-19(27)15-4-5-16(21)30-15/h2-5,8,13,18,26H,6-7,9-10H2,1H3,(H,22,27)/t13-,18+/m1/s1