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

Click to see the large picture

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)