2-[(4-butoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[(4-butoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(4-butoxyphenyl)methylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4-butoxyphenyl)methylamino]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(4-butoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-butoxybenzyl)amino]-4-methyl-thiazole-5-carboxylate Formula: C16H19N2O3S- MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-3-4-9-21-13-7-5-12(6-8-13)10-17-16-18-11(2)14(22-16)15(19)20/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)(H,19,20)/p-1