ethyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]thiazole-4-carboxylate CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]thiazole-4-carboxylic acid ethyl ester Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H23N3O5S2/c1-2-27-18(24)16-13-28-19(20-16)21-17(23)14-7-9-15(10-8-14)29(25,26)22-11-5-3-4-6-12-22/h7-10,13H,2-6,11-12H2,1H3,(H,20,21,23)