ethyl 4-methyl-2-[pentyl-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[pentyl-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[pentyl-(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-pentylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[pentyl-(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-(4-pyrrolidinosulfonylbenzoyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H31N3O5S2/c1-4-6-7-16-26(23-24-17(3)20(32-23)22(28)31-5-2)21(27)18-10-12-19(13-11-18)33(29,30)25-14-8-9-15-25/h10-13H,4-9,14-16H2,1-3H3