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

Systemtic Name: ethyl 2-[[3-ethoxypropyl(2-phenylsulfanylethanoyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-ethoxypropyl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[3-ethoxypropyl-[2-(phenylthio)acetyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCOCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O4S2/c1-3-25-12-8-11-22(19(23)15-27-16-9-6-5-7-10-16)13-18-21-17(14-28-18)20(24)26-4-2/h5-7,9-10,14H,3-4,8,11-13,15H2,1-2H3