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

Systemtic Name: ethyl 2-[[(4-acetamidophenyl)sulfonyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-acetamidophenyl)sulfonyl-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(4-acetamidophenyl)sulfonyl-propylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-acetamidophenyl)sulfonyl-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-acetamidophenyl)sulfonyl-propyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=CS1)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCCN(CC1=NC(=CS1)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H23N3O5S2/c1-4-10-21(11-17-20-16(12-27-17)18(23)26-5-2)28(24,25)15-8-6-14(7-9-15)19-13(3)22/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,22)