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

Systemtic Name: methyl 2-[[(4-butoxyphenyl)carbonyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-butoxybenzoyl)-isopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-butoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-butoxybenzoyl)-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-butoxybenzoyl)-isopropyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-5-6-11-26-16-9-7-15(8-10-16)19(23)22(14(2)3)12-18-21-17(13-27-18)20(24)25-4/h7-10,13-14H,5-6,11-12H2,1-4H3