2-[2-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(3-bromo-4-hexoxy-5-methoxy-phenyl)thiazol-4-yl]acetic acid CAS Name: 2-[2-(3-bromo-4-hexoxy-5-methoxyphenyl)-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(3-bromo-4-hexoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(3-bromo-4-hexoxy-5-methoxy-phenyl)thiazol-4-yl]acetic acid Formula: C18H22BrNO4S MolecularWeight: 428.34058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)C2=NC(=CS2)CC(=O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)C2=NC(=CS2)CC(=O)O)OC

InChI

InChI=1S/C18H22BrNO4S/c1-3-4-5-6-7-24-17-14(19)8-12(9-15(17)23-2)18-20-13(11-25-18)10-16(21)22/h8-9,11H,3-7,10H2,1-2H3,(H,21,22)