(4-nitrophenyl)methyl 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (4-nitrophenyl)methyl 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (4-nitrophenyl)methyl 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (4-nitrobenzyl) ester Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO5S/c1-21-15-9-13(23-2)7-8-14(15)16(18)22-10-11-3-5-12(6-4-11)17(19)20/h3-9H,10H2,1-2H3