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

Systemtic Name: methyl 2-[[(4-ethoxycarbonylphenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-ethoxycarbonylphenyl)carbamoyl-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-ethoxycarbonylanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-5-29-19(25)15-6-8-16(9-7-15)22-21(27)24(11-10-14(2)3)12-18-23-17(13-30-18)20(26)28-4/h6-9,13-14H,5,10-12H2,1-4H3,(H,22,27)