methyl 2-[[(4-acetamidophenyl)sulfonyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-acetamidophenyl)sulfonyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-acetamidophenyl)sulfonyl-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(4-acetamidophenyl)sulfonyl-cyclopropylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-acetamidophenyl)sulfonyl-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-acetamidophenyl)sulfonyl-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=NC(=CS2)C(=O)OC)C3CC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=NC(=CS2)C(=O)OC)C3CC3

InChI

InChI=1S/C17H19N3O5S2/c1-11(21)18-12-3-7-14(8-4-12)27(23,24)20(13-5-6-13)9-16-19-15(10-26-16)17(22)25-2/h3-4,7-8,10,13H,5-6,9H2,1-2H3,(H,18,21)