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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)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-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C16H12N2O5S2 MolecularWeight: 376.40688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5S2/c19-16(10-25-13-5-3-12(4-6-13)18(20)21)22-9-11-8-14(23-17-11)15-2-1-7-24-15/h1-8H,9-10H2