N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-[3-ethanoyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]ethanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-[3-ethanoyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]ethanamide Openeye Name: 2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1-pyrrolyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Formula: C24H22FN3O2S MolecularWeight: 435.513783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)CN3C(=C(C=C3C4=CC=C(C=C4)F)C(=O)C)C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)CN3C(=C(C=C3C4=CC=C(C=C4)F)C(=O)C)C

InChI

InChI=1S/C24H22FN3O2S/c1-13-9-20-22(10-14(13)2)31-24(26-20)27-23(30)12-28-15(3)19(16(4)29)11-21(28)17-5-7-18(25)8-6-17/h5-11H,12H2,1-4H3,(H,26,27,30)