ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclohexyl(8-quinolylsulfonyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl(8-quinolinylsulfonyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclohexyl(8-quinolylsulfonyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H25N3O4S2/c1-2-29-22(26)18-15-30-20(24-18)14-25(17-10-4-3-5-11-17)31(27,28)19-12-6-8-16-9-7-13-23-21(16)19/h6-9,12-13,15,17H,2-5,10-11,14H2,1H3