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

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2,4-dimethylthiazole-5-carboxylate CAS Name: 2,4-dimethyl-5-thiazolecarboxylic 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-dimethyl-1,3-thiazole-5-carboxylate Traditional Name: 2,4-dimethylthiazole-5-carboxylic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(N=C(S2)C)C)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(N=C(S2)C)C)C3CCCC3)C

InChI

InChI=1S/C20H24N4O3S/c1-11-13(3)24(15-7-5-6-8-15)19(16(11)9-21)23-17(25)10-27-20(26)18-12(2)22-14(4)28-18/h15H,5-8,10H2,1-4H3,(H,23,25)