(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C16H12BrNO3S2 MolecularWeight: 410.30538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)COC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)COC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H12BrNO3S2/c17-11-3-5-13(6-4-11)23-10-16(19)20-9-12-8-14(21-18-12)15-2-1-7-22-15/h1-8H,9-10H2