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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C15H15BrN2O3S2 MolecularWeight: 415.3252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CSC(=N2)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CSC(=N2)NC(=O)C

InChI

InChI=1S/C15H15BrN2O3S2/c1-9-5-11(16)3-4-13(9)22-8-14(20)21-6-12-7-23-15(18-12)17-10(2)19/h3-5,7H,6,8H2,1-2H3,(H,17,18,19)