2-[(4-butoxy-3-ethoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[(4-butoxy-3-ethoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(4-butoxy-3-ethoxy-phenyl)methylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4-butoxy-3-ethoxyphenyl)methylamino]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(4-butoxy-3-ethoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-butoxy-3-ethoxy-benzyl)amino]-4-methyl-thiazole-5-carboxylate Formula: C18H23N2O4S- MolecularWeight: 363.45122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC2=NC(=C(S2)C(=O)[O-])C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC2=NC(=C(S2)C(=O)[O-])C)OCC

InChI

InChI=1S/C18H24N2O4S/c1-4-6-9-24-14-8-7-13(10-15(14)23-5-2)11-19-18-20-12(3)16(25-18)17(21)22/h7-8,10H,4-6,9,11H2,1-3H3,(H,19,20)(H,21,22)/p-1