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

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)methyl-methyl-amino]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide Openeye Name: 2-[(5-bromo-2-thienyl)methyl-methyl-amino]-N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: 2-[(5-bromo-2-thiophenyl)methyl-methylamino]-N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]acetamide IUPAC Name: 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-[(5-bromo-2-thienyl)methyl-methyl-amino]-N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN(C)CC2=CC=C(S2)Br)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN(C)CC2=CC=C(S2)Br)CC3=CC=CO3)C

InChI

InChI=1S/C20H21BrN4O2S/c1-13-14(2)25(10-15-5-4-8-27-15)20(17(13)9-22)23-19(26)12-24(3)11-16-6-7-18(21)28-16/h4-8H,10-12H2,1-3H3,(H,23,26)