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

Systemtic Name: ethyl 2-[[cyclohexyl(2-phenylsulfanylethanoyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclohexyl-(2-phenylsulfanylacetyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclohexyl-(2-phenylsulfanylacetyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclohexyl-[2-(phenylthio)acetyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-2-26-21(25)18-14-28-19(22-18)13-23(16-9-5-3-6-10-16)20(24)15-27-17-11-7-4-8-12-17/h4,7-8,11-12,14,16H,2-3,5-6,9-10,13,15H2,1H3