(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-[2-(p-tolyl)thiazol-4-yl]acetate CAS Name: 2-[2-(4-methylphenyl)-4-thiazolyl]acetic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(p-tolyl)thiazol-4-yl]acetic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CC2=CSC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CC2=CSC(=N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H17BrN2O3S/c1-3-26-18-9-14(11-23)8-17(22)20(18)27-19(25)10-16-12-28-21(24-16)15-6-4-13(2)5-7-15/h4-9,12H,3,10H2,1-2H3