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

Systemtic Name: 2-[2-[(4-butoxy-3-methoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[(4-butoxy-3-methoxy-phenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-[(4-butoxy-3-methoxy-benzyl)amino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)CC2=NC(=C(S2)C(=O)O)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)CC2=NC(=C(S2)C(=O)O)C)OC

InChI

InChI=1S/C19H24N2O5S/c1-4-5-8-26-14-7-6-13(9-15(14)25-3)11-20-16(22)10-17-21-12(2)18(27-17)19(23)24/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,20,22)(H,23,24)