2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3O2)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3O2)C4CCCC4)C

InChI

InChI=1S/C21H22N4O2S/c1-13-14(2)25(15-7-3-4-8-15)20(16(13)11-22)24-19(26)12-28-21-23-17-9-5-6-10-18(17)27-21/h5-6,9-10,15H,3-4,7-8,12H2,1-2H3,(H,24,26)