[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 3-acetamidobenzoate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 3-acetamidobenzoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C20H17BrN2O4S MolecularWeight: 461.32898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H17BrN2O4S/c1-12(24)22-15-5-3-4-13(8-15)20(25)27-10-16-11-28-19(23-16)17-9-14(21)6-7-18(17)26-2/h3-9,11H,10H2,1-2H3,(H,22,24)