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

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H19BrN2O4S/c1-13-3-5-14(6-4-13)20(26)23-10-19(25)28-11-16-12-29-21(24-16)17-9-15(22)7-8-18(17)27-2/h3-9,12H,10-11H2,1-2H3,(H,23,26)