(2S)-N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2CCCN2C(=O)C3=CC=CS3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)Br)OC

InChI

InChI=1S/C20H23BrN2O4S/c1-26-16-11-13(14(21)12-17(16)27-2)7-8-22-19(24)15-5-3-9-23(15)20(25)18-6-4-10-28-18/h4,6,10-12,15H,3,5,7-9H2,1-2H3,(H,22,24)/t15-/m0/s1