(4-cyanophenyl)methyl 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: (4-cyanophenyl)methyl 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid (4-cyanobenzyl) ester Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H12N2O4S/c17-9-12-5-7-13(8-6-12)10-22-16(19)11-23-15-4-2-1-3-14(15)18(20)21/h1-8H,10-11H2