[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylethanoate

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CSC2=CC=C(C=C2)Cl)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CSC2=CC=C(C=C2)Cl)C3CCCC3)C

InChI

InChI=1S/C22H24ClN3O3S/c1-14-15(2)26(17-5-3-4-6-17)22(19(14)11-24)25-20(27)12-29-21(28)13-30-18-9-7-16(23)8-10-18/h7-10,17H,3-6,12-13H2,1-2H3,(H,25,27)