N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanamide

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCSC3=CC=CC=C32)CC4=CC=CO4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCSC3=CC=CC=C32)CC4=CC=CO4)C

InChI

InChI=1S/C22H22N4O2S/c1-15-16(2)26(13-17-6-5-10-28-17)22(18(15)12-23)24-21(27)14-25-9-11-29-20-8-4-3-7-19(20)25/h3-8,10H,9,11,13-14H2,1-2H3,(H,24,27)