(2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C16H17BrN2O3S2 MolecularWeight: 429.35178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=CSC(=N2)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=CSC(=N2)NC(=O)C

InChI

InChI=1S/C16H17BrN2O3S2/c1-9-5-14(10(2)4-13(9)17)23-8-15(21)22-6-12-7-24-16(19-12)18-11(3)20/h4-5,7H,6,8H2,1-3H3,(H,18,19,20)