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

Systemtic Name: ethyl 2-[[cyclopropyl-(4-methylphenyl)sulfonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclopropyl(p-tolylsulfonyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclopropyl-(4-methylphenyl)sulfonylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclopropyl-(4-methylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclopropyl(tosyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H20N2O4S2/c1-3-23-17(20)15-11-24-16(18-15)10-19(13-6-7-13)25(21,22)14-8-4-12(2)5-9-14/h4-5,8-9,11,13H,3,6-7,10H2,1-2H3