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

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

Systemtic Name:ethyl 2-[[(4-ethoxycarbonylphenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate
Openeye Name:ethyl 2-[[(4-ethoxycarbonylphenyl)carbamoyl-isopentyl-amino]methyl]thiazole-4-carboxylate
CAS Name:2-[[[(4-ethoxycarbonylanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester
IUPAC Name:ethyl 2-[[(4-ethoxycarbonylphenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate
Traditional Name:2-[[(4-carbethoxyphenyl)carbamoyl-isoamyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester
Formula: C22H29N3O5S
MolecularWeight: 447.54776
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H29N3O5S/c1-5-29-20(26)16-7-9-17(10-8-16)23-22(28)25(12-11-15(3)4)13-19-24-18(14-31-19)21(27)30-6-2/h7-10,14-15H,5-6,11-13H2,1-4H3,(H,23,28)


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