2-[(4-butoxy-3-methoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[(4-butoxy-3-methoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(4-butoxy-3-methoxy-phenyl)methylamino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[(4-butoxy-3-methoxyphenyl)methylamino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[(4-butoxy-3-methoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(4-butoxy-3-methoxy-benzyl)amino]-4-methyl-thiazole-5-carboxylic acid Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC2=NC(=C(S2)C(=O)O)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC2=NC(=C(S2)C(=O)O)C)OC

InChI

InChI=1S/C17H22N2O4S/c1-4-5-8-23-13-7-6-12(9-14(13)22-3)10-18-17-19-11(2)15(24-17)16(20)21/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,19)(H,20,21)