5-bromanyl-3-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-3-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-3-methyl-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]benzofuran-2-carboxamide CAS Name: 5-bromo-3-methyl-N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-3-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-3-methyl-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]coumarilamide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC(C3=CC=CS3)N4CCOCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC[C@@H](C3=CC=CS3)N4CCOCC4

InChI

InChI=1S/C20H21BrN2O3S/c1-13-15-11-14(21)4-5-17(15)26-19(13)20(24)22-12-16(18-3-2-10-27-18)23-6-8-25-9-7-23/h2-5,10-11,16H,6-9,12H2,1H3,(H,22,24)/t16-/m0/s1