1-(3-nitrophenyl)ethyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: 1-(3-nitrophenyl)ethyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: 1-(3-nitrophenyl)ethyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid 1-(3-nitrophenyl)ethyl ester Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C15H14N2O4S/c1-10(11-5-3-6-12(9-11)17(19)20)21-15(18)13-7-4-8-16-14(13)22-2/h3-10H,1-2H3