2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide Openeye Name: 2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: 2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]acetamide IUPAC Name: 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)CC(=O)NC2=C(C(=C(N2CC3=CC=CO3)C)C)C#N

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)CC(=O)NC2=C(C(=C(N2CC3=CC=CO3)C)C)C#N

InChI

InChI=1S/C21H23BrN4O2S/c1-4-25(12-17-7-8-19(22)29-17)13-20(27)24-21-18(10-23)14(2)15(3)26(21)11-16-6-5-9-28-16/h5-9H,4,11-13H2,1-3H3,(H,24,27)