methyl 2-[[(4-butoxyphenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-butoxyphenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-butoxybenzoyl)-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-butoxyphenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-butoxybenzoyl)-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-butoxybenzoyl)-isoamyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CCC(C)C)CC2=NC(=CS2)C(=O)OC

InChI

InChI=1S/C22H30N2O4S/c1-5-6-13-28-18-9-7-17(8-10-18)21(25)24(12-11-16(2)3)14-20-23-19(15-29-20)22(26)27-4/h7-10,15-16H,5-6,11-14H2,1-4H3