2-[2-[2-[(4-hexoxy-3-methoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[2-[(4-hexoxy-3-methoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[2-[(4-hexoxy-3-methoxy-phenyl)methylamino]-2-oxo-ethyl]thiazol-4-yl]acetic acid CAS Name: 2-[2-[2-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[2-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[2-[(4-hexoxy-3-methoxy-benzyl)amino]-2-keto-ethyl]thiazol-4-yl]acetic acid Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)CNC(=O)CC2=NC(=CS2)CC(=O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)CNC(=O)CC2=NC(=CS2)CC(=O)O)OC

InChI

InChI=1S/C21H28N2O5S/c1-3-4-5-6-9-28-17-8-7-15(10-18(17)27-2)13-22-19(24)12-20-23-16(14-29-20)11-21(25)26/h7-8,10,14H,3-6,9,11-13H2,1-2H3,(H,22,24)(H,25,26)