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

Systemtic Name: methyl 2-[[(4-butoxyphenyl)carbonyl-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-butoxybenzoyl)-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-butoxyphenyl)-oxomethyl]-(3-methoxypropyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-butoxybenzoyl)-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-butoxybenzoyl)-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-4-5-13-28-17-9-7-16(8-10-17)20(24)23(11-6-12-26-2)14-19-22-18(15-29-19)21(25)27-3/h7-10,15H,4-6,11-14H2,1-3H3