ethyl 2-[[(4-ethoxyphenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(4-ethoxyphenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-ethoxyphenyl)carbamoyl-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-ethoxyanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-ethoxyphenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl(p-phenetylcarbamoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OCC

InChI

InChI=1S/C21H29N3O4S/c1-5-27-17-9-7-16(8-10-17)22-21(26)24(12-11-15(3)4)13-19-23-18(14-29-19)20(25)28-6-2/h7-10,14-15H,5-6,11-13H2,1-4H3,(H,22,26)