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

Systemtic Name: ethyl 2-[[(2,4-dimethoxyphenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(2,4-dimethoxyphenyl)carbamoyl-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(2,4-dimethoxyanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2,4-dimethoxyphenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(2,4-dimethoxyphenyl)carbamoyl-isoamyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)NC2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)NC2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C21H29N3O5S/c1-6-29-20(25)17-13-30-19(22-17)12-24(10-9-14(2)3)21(26)23-16-8-7-15(27-4)11-18(16)28-5/h7-8,11,13-14H,6,9-10,12H2,1-5H3,(H,23,26)