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

Systemtic Name: methyl 2-[[(4-butoxyphenyl)carbonyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-butoxybenzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-butoxyphenyl)-oxomethyl]-cyclopropylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-butoxybenzoyl)-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-butoxybenzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OC)C3CC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OC)C3CC3

InChI

InChI=1S/C20H24N2O4S/c1-3-4-11-26-16-9-5-14(6-10-16)19(23)22(15-7-8-15)12-18-21-17(13-27-18)20(24)25-2/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3