2-[2-[(3-methoxy-4-pentoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[2-[(3-methoxy-4-pentoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-[(3-methoxy-4-pentoxy-phenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-[(3-methoxy-4-pentoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[2-[(3-methoxy-4-pentoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[(4-amoxy-3-methoxy-benzyl)amino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylate Formula: C20H25N2O5S- MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CNC(=O)CC2=NC(=C(S2)C(=O)[O-])C)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CNC(=O)CC2=NC(=C(S2)C(=O)[O-])C)OC

InChI

InChI=1S/C20H26N2O5S/c1-4-5-6-9-27-15-8-7-14(10-16(15)26-3)12-21-17(23)11-18-22-13(2)19(28-18)20(24)25/h7-8,10H,4-6,9,11-12H2,1-3H3,(H,21,23)(H,24,25)/p-1