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

Systemtic Name: 5-bromanyl-N-[(4R)-1-[3-methyl-4-(5-oxidanylidene-1,4-oxazepan-4-yl)phenyl]-4-oxidanyl-5-oxidanylidene-pyrrolidin-3-yl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[(4R)-4-hydroxy-1-[3-methyl-4-(5-oxo-1,4-oxazepan-4-yl)phenyl]-5-oxo-pyrrolidin-3-yl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[(4R)-4-hydroxy-1-[3-methyl-4-(5-oxo-1,4-oxazepan-4-yl)phenyl]-5-oxo-3-pyrrolidinyl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[(4R)-4-hydroxy-1-[3-methyl-4-(5-oxo-1,4-oxazepan-4-yl)phenyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[(4R)-4-hydroxy-5-keto-1-[4-(5-keto-1,4-oxazepan-4-yl)-3-methyl-phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide Formula: C21H22BrN3O5S MolecularWeight: 508.38548

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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)N4CCOCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC([C@H](C2=O)O)NC(=O)C3=CC=C(S3)Br)N4CCOCCC4=O

InChI

InChI=1S/C21H22BrN3O5S/c1-12-10-13(2-3-15(12)24-7-9-30-8-6-18(24)26)25-11-14(19(27)21(25)29)23-20(28)16-4-5-17(22)31-16/h2-5,10,14,19,27H,6-9,11H2,1H3,(H,23,28)/t14?,19-/m1/s1