(4-nitrophenyl)methyl 2-pyridin-4-ylsulfanylethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-pyridin-4-ylsulfanylethanoate Openeye Name: (4-nitrophenyl)methyl 2-(4-pyridylsulfanyl)acetate CAS Name: 2-(pyridin-4-ylthio)acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-pyridin-4-ylsulfanylacetate Traditional Name: 2-(4-pyridylthio)acetic acid (4-nitrobenzyl) ester Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CSC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CSC2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O4S/c17-14(10-21-13-5-7-15-8-6-13)20-9-11-1-3-12(4-2-11)16(18)19/h1-8H,9-10H2